2t-Hexadecenoic acid(929-79-3) IR1
Product Name2t-Hexadecenoic acid
CAS929-79-3
Molecular FormulaC16H30O2
Molecular Weight254.41
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+
InChIKey ZVRMGCSSSYZGSM-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 12Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc