CNMR作业.docx

1、CNMR作业13C-NMR习题1、根据所给13C-NMR谱，推导出A-I化合物分子结构式ACompound Name:2-propanolMolecular Formula: C3H8O CAS Registry No.: 67-63-0 ppm Int. Assign. 64.04 732 1 25.29 1000 2BCompound Name:1,1-dibromoethaneMolecular Formula: C2H4Br2 CAS Registry No.: 557-91-5 ppm Int. Assign. 39.04 507 1 34.23 1000 2CCompound Na

2、me:1-pentyneMolecular Formula: C5H8 CAS Registry No.: 627-19-0 ppm Int. Assign. 84.48 393 1 68.31 910 2 22.10 1000 3 20.51 925 4 13.39 975 5DCompound Name:pivaloyl chlorideMolecular Formula: C5H9ClO CAS Registry No.: 3282-30-2 ppm Int. Assign. 180.38 43 1 49.34 113 2 27.11 1000 3 ECompound Name:glyc

3、ineMolecular Formula: C2H5NO2 CAS Registry No.: 56-40-6 ppm Int. Assign. 173.30 326 1 42.56 1000 2FCompound Name:butyrophenoneMolecular Formula: C10H12O CAS Registry No.: 495-40-9 ppm Int. Assign. 200.22 199 1 137.18 249 2 132.84 468 3 128.55 836 4 128.03 1000 5 40.47 328 6 17.77 313 7 13.88 299 8GC

4、ompound Name:phthalaldehydeMolecular Formula: C8H6O2 CAS Registry No.: 643-79-8 ppm Int. Assign. 192.46 958 4 * 136.42 431 3 * 133.82 962 2 131.09 1000 1HCompound Name:p-anisyl alcoholMolecular Formula: C8H10O2 CAS Registry No.: 105-13-5 ppm Int. Assign. 159.48 158 1 133.72 277 2 128.56 1000 3 114.2

5、3 782 4 64.79 386 5 55.40 337 6ICompound Name:tetralinMolecular Formula: C10H12 CAS Registry No.: 119-64-2 ppm Int. Assign. 137.07 266 5 129.11 722 4 125.43 801 3 29.39 1000 2 23.26 950 12、正丁醇（C4H10O ）的另外三种醇异构体的噪声去偶13C-NMR谱如下A、B、C所示，试确定与各谱相应的醇的结构式并指出光谱中每个碳吸收信号的归属。ACompound Name:2-methyl-2-propanolMo

6、lecular Formula: C4H10O CAS Registry No.: 75-65-0 ppm Int. Assign. 69.05 264 1 31.23 1000 2BCompound Name:2-butanolMolecular Formula: C4H10O CAS Registry No.: 78-92-2 ppm Int. Assign. 69.28 1000 1 32.07 805 2 22.83 560 3 10.01 510 4CCompound Name:2-methyl-1-propanol Molecular Formula: C4H10O CAS Reg

7、istry No.: 78-83-1 ppm Int. Assign. 69.47 691 1 30.84 634 2 18.99 1000 33、光谱D和C是分子式为C7H8O的二种异构体化合物的噪声去偶13C-NMR谱，试确定与各谱相应的化合物的分子结构式并指出各谱中每个峰的归属。DCompound Name:m-cresolMolecular Formula: C7H8O CAS Registry No.: 108-39-4 ppm Int. Assign. 155.07 820 7 139.92 725 6 129.51 895 5 121.86 895 4 116.26 860 3

8、112.51 1000 2 21.24 525 1ECompound Name:anisoleMolecular Formula: C7H8O CAS Registry No.: 100-66-3 ppm Int. Assign. 159.66 225 5 129.50 1000 4 120.72 416 3 113.96 909 2 55.06 364 14、光谱F和G是分子式为C8H8O的二种异构体化合物的噪声去偶13C-NMR谱，试确定与各谱相应的化合物的分子结构式并指出各谱中每个峰对应的碳原子。FCompound Name:acetophenoneMolecular Formula:

9、C8H8O CAS Registry No.: 98-86-2 ppm Int. Assign. 197.85 174 1 137.23 229 2 133.04 463 3 128.56 866 4 * 128.29 1000 5 * 26.47 259 6GCompound Name:(1,2-epoxyethyl)benzeneMolecular Formula: C8H8O CAS Registry No.: 96-09-3 ppm Int. Assign. 137.68 176 6 128.47 978 5 128.13 610 4 125.49 1000 3 52.26 368 2

10、 51.04 404 15、根据所给光谱及数据，确定下列各化合物的分子结构式，并指出各峰的归属。(1)Compound Name:propiophenoneMolecular Formula: C9H10O CAS Registry No.: 93-55-0 ppm Int. Assign. 200.57 180 1 137.02 250 2 132.84 470 3 128.56 1000 4 * 127.98 980 5 * 31.74 380 6 8.23 295 7(2)Compound Name:ethyl acrylateMolecular Formula: C5H8O2 CAS

11、Registry No.: 140-88-5 ppm Int. Assign. 166.18 356 5 130.31 1000 4 128.88 955 3 60.48 780 2 14.28 610 1 (3)Compound Name:2,5-dimethoxybenzaldehydeMolecular Formula: C9H10O3 CAS Registry No.: 93-02-7 ppm Int. Assign. 189.37 293 1 156.73 329 2 153.69 360 3 125.03 457 4 123.29 811 5 113.38 787 6 110.60

12、 860 7 56.16 1000 8 * 55.76 1000 9 * (4)Compound Name:diethyl phthalateMolecular Formula: C12H14O4 CAS Registry No.: 84-66-2 ppm Int. Assign. 167.59 254 1 132.37 330 2 130.98 643 3 128.87 676 4 61.59 1000 5 14.12 622 6(6)Compound Name:o-ethylanilineMolecular Formula: C8H11N CAS Registry No.: 578-54-

13、1 ppm Int. Assign. 144.06 710 1 128.31 965 2 128.01 790 3 126.76 1000 4 118.71 920 5 115.35 895 6 23.93 885 7 12.97 935 86、根据所给1H-NMR及13C-NMR谱推导出各化合物的分子结构式，并指出各谱中的各峰归属。13C-NMR谱中78ppm处的强度1:1:1的上重峰是由溶剂CDCl3所产生。a Compound Name:crotonic acidMolecular Formula: C4H6O2 CAS Registry No.: 3724-65-0 ppm Int.

14、Assign. 172.35 537 4 147.55 1000 3 122.38 821 2 18.08 771 1bCompound Name:1,3-dichlorobutaneMolecular Formula: C4H8Cl2 CAS Registry No.: 1190-22-3 Assign. Shift(ppm) A 4.25 B 3.696 C 2.123 D 1.561 ppm Int. Assign. 55.02 935 1 42.67 1000 2 * 41.82 970 3 * 25.17 731 4cCompound Name:5-chloro-2-pentanoneMolecular Formula: C5H9ClO CAS Registry No.: 5891-21-4 Assign. Shift(ppm) A 3.578 B 2.636 C 2.173 D 2.04 ppm Int. Assign. 207.42 378 1 44.44 821 2 40.22 940 3 30.00 547 4 26.40 1000 5