2t-Hexadecenoic acid
产品名称
2t-Hexadecenoic acid
CAS号929-79-3
分子式C16H30O2
分子量254.41
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
InChIKeyZVRMGCSSSYZGSM-CCEZHUSRSA-N
SmilesC(O)(=O)/C=C/CCCCCCCCCCCCC
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Assign. Shift(ppm)
A 11.
B 7.10
C 5.82
D 2.23
E 1.46
F 1.26
G 0.88
J(B,C)=15.7HZ. J(B,D)=6.9HZ.
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
172.41 439 1
152.45 312 2
120.74 249 3
32.37 222 4
31.99 308 5
29.72 1000 6
29.60 425 7
29.43 561 8
29.21 281 9
27.96 231 10
22.74 267 11
14.14 235 12
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
