TRANS-2-DODECENOIC ACID(32466-54-9) IR1
Product NameTRANS-2-DODECENOIC ACID
CAS32466-54-9
Molecular FormulaC12H22O2
Molecular Weight198.3
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
InChIKey PAWGRNGPMLVJQH-ZHACJKMWSA-N
SmilesC(O)(=O)/C=C/CCCCCCCCC
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Assign. Shift(ppm)
A 11.52 B 7.11 C 5.827 D 2.22 E 1.27 F 0.88Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
172.49 854 1 152.43 854 2 120.81 808 3 32.38 636 4 31.97 843 5 29.57 919 6 * 29.46 944 7 * 29.37 1000 8 29.25 808 9 27.99 707 10 22.74 803 11 14.12 753 12Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid