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cis, cis-9,12-Octadecadienoic acid
SpectraBase Compound ID K2IvwUhDzfD
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
InChIKey OYHQOLUKZRVURQ-HZJYTTRNSA-N
Mol Weight 280.5 g/mol
Molecular Formula C18H32O2
Exact Mass 280.24023 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LIzFtcO4MEw
Name Linoleic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 60-33-3
ChEBI ID 17351
Comments Saturated Linoleic Acid - Sigma-Aldrich Solvent CDCl3, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C18 H32 O2
IUPAC Name (9Z,12Z)-octadeca-9,12-dienoic acid
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
InChIKey OYHQOLUKZRVURQ-HZJYTTRNSA-N
KEGG Compound ID C01595
KEGG Pathways PATH: ko00591 Linoleic acid metabolism PATH: ko01040 Biosynthesis of unsaturated fatty acids
PubChem Compound ID 5280450
SMILES CCCCCC=CCC=CCCCCCCCC(=O)O; CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
Source File Reference bmse000497