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(Z)-6-Methyl-12-heptadecenoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(Z)-6-Methyl-12-heptadecenoic acid
SpectraBase Compound ID I368gDKGaVU
InChI InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-14-17(2)15-12-13-16-18(19)20/h6-7,17H,3-5,8-16H2,1-2H3,(H,19,20)/b7-6-
InChIKey MSMHAJYRIOTSSP-SREVYHEPSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EX8ED5zu0hE
Name (Z)-6-Methyl-12-heptadecenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.255880333 u
Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-14-17(2)15-12-13-16-18(19)20/h6-7,17H,3-5,8-16H2,1-2H3,(H,19,20)/b7-6-
InChIKey MSMHAJYRIOTSSP-SREVYHEPSA-N
Molecular Weight 282.468 g/mol
SMILES CCCC\C=C/CCCCCC(CCCCC(O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803482