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Elaidicacid-iso-propyl ester
SpectraBase Compound ID AUtlhZsIewY
InChI InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3/b12-11+
InChIKey PZQSQRCNMZGWFT-VAWYXSNFSA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dmgdaz5nOvg
Name Elaidicacid-iso-propyl ester
CAS Registry Number 22147-34-8
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 324.302830526 u
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3/b12-11+
InChIKey PZQSQRCNMZGWFT-VAWYXSNFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 324.549 g/mol
Nominal Mass 324 u
Quality 996
Retention Index 2279
SMILES C(OC(C)C)(CCCCCCC\C=C\CCCCCCCC)=O
SPLASH splash10-067l-9310000000-2afaa5eee5160c46d0cf
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms propan-2-yl (9E)-octadec-9-enoate
Technique GC/MS
Wiley ID DD2024_032814