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12-Oxoheneicosa-13,15-dienoic acid

View entire compound with spectra: 2 MS (GC)

12-Oxoheneicosa-13,15-dienoic acid
SpectraBase Compound ID HhlXjqEr7zq
InChI InChI=1S/C21H36O3/c1-2-3-4-5-8-11-14-17-20(22)18-15-12-9-6-7-10-13-16-19-21(23)24/h8,11,14,17H,2-7,9-10,12-13,15-16,18-19H2,1H3,(H,23,24)/b11-8+,17-14+
InChIKey ZELQGGGOPZHDSA-LDRANXPESA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IlHZIWPDGI
Name 12-OXOHENEICOSA-13,15-DIENIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-2-3-4-5-8-11-14-17-20(22)18-15-12-9-6-7-10-13-16-19-21(23)24/h8,11,14,17H,2-7,9-10,12-13,15-16,18-19H2,1H3,(H,23,24)/b11-8+,17-14+
InChIKey ZELQGGGOPZHDSA-LDRANXPESA-N
Molecular Weight 336.2655
SMILES OC(CCCCCCCCCCC(=O)\C=C\C=C\CCCCC)=O
SPLASH splash10-014i-9511000000-45019ed8087341daa81c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany