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2-Octyldodecanoic acid

View entire compound with spectra: 2 NMR, and 4 MS (GC)

2-Octyldodecanoic acid
SpectraBase Compound ID 3dkG5KdEPjq
InChI InChI=1S/C20H40O2/c1-3-5-7-9-11-12-14-16-18-19(20(21)22)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,21,22)
InChIKey KUIYXYIWGVFQPD-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDbBeUJs6gF
Name 2-Octyldodecanoic acid
CAS Registry Number 40596-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-3-5-7-9-11-12-14-16-18-19(20(21)22)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,21,22)
InChIKey KUIYXYIWGVFQPD-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES OC(C(CCCCCCCCCC)CCCCCCCC)=O
SPLASH splash10-05fu-9410000000-716783e613177c4a8279
Synonyms 2-Octyllauric acid Dodecanoic acid, 2-octyl- EINECS 254-992-7
Wiley ID 1493713