十二烷酸 2-氯乙酯(51479-36-8)红外图谱(IR1)
分子式:C16H31ClO2
分子量: 290.87
InChI:InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3
InChIKey: MPNMNLLETRXDEX-UHFFFAOYSA-N
Smiles:C(OCCCl)(=O)CCCCCCCCCCCCC
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Assign. Shift(ppm)
A 4.328
B 3.680
C 2.350
D 1.637
E 1.34 to 1.290
F 1.26
G 0.880
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
173.45 244 1
63.85 323 2
41.63 373 3
34.14 313 4
31.99 368 5
29.71 1000 6 *
7 *
8 *
9 *
29.51 408 10 *
29.42 398 11 *
29.30 348 12 *
29.16 358 13 *
24.96 353 14
22.74 358 15
14.13 259 16
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film