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Heptadecanoic acid

View entire compound with spectra: 5 NMR, 7 FTIR, 2 Raman, and 11 MS (GC)

Heptadecanoic acid
SpectraBase Compound ID BIbZvAqtdAp
InChI InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChIKey KEMQGTRYUADPNZ-UHFFFAOYSA-N
Mol Weight 270.5 g/mol
Molecular Formula C17H34O2
Exact Mass 270.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYwuAmzV0Tp
Name Heptadecanoic acid
CAS Registry Number 506-12-7
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H34O2
InChI InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChIKey KEMQGTRYUADPNZ-UHFFFAOYSA-N
Molecular Weight 270.457 g/mol
SMILES OC(CCCCCCCCCCCCCCCC)=O
SPLASH splash10-05fu-9110000000-964318d4ccc7c1457147
Source of Spectrum W5-23917-0-0
Synonyms Margaric acid Margarinic acid n-Heptadecanoic acid n-Heptadecoic acid n-Heptadecylic acid Normal-heptadecanoic acid AI3-36481 BRN 1781004 EINECS 208-027-1 NSC 3743
Wiley ID 1272556