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iso-Propyl 9-.cis.,11-.trans.-octadecadienoate
SpectraBase Compound ID HULnJYnKvKR
InChI InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h9-12,20H,4-8,13-19H2,1-3H3/b10-9+,12-11-
InChIKey KSAOWHBTACAMPN-PVHUKWJHSA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aHIsWvADw
Name iso-Propyl 9-.cis.,11-.trans.-octadecadienoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 322.287180462 u
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h9-12,20H,4-8,13-19H2,1-3H3/b10-9+,12-11-
InChIKey KSAOWHBTACAMPN-PVHUKWJHSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 322.533 g/mol
Nominal Mass 322 u
Quality 994
Retention Index 2267
SMILES C(OC(C)C)(CCCCCCC\C=C/C=C/CCCCCC)=O
SPLASH splash10-00pm-9320000000-585eb4a31e5c838ee364
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms propan-2-yl (9Z,11E)-octadeca-9,11-dienoate
Technique GC/MS
Wiley ID DD2024_034625