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(Z)-6-Octadecenoic acid

View entire compound with spectra: 5 NMR, 1 FTIR, 1 Raman, and 4 MS (GC)

(Z)-6-Octadecenoic acid
SpectraBase Compound ID JuAwRaGhe4w
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
InChIKey CNVZJPUDSLNTQU-SEYXRHQNSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4tO8Fd9Nmym
Name Fatty acid (petroselinic)
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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
InChIKey CNVZJPUDSLNTQU-SEYXRHQNSA-N
Molecular Weight 282.468 g/mol
SMILES OC(CCCC\C=C/CCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.991504