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Methyl 9,10-bis(3-oxo-1-propenyl)pentadecanoate
SpectraBase Compound ID Zrf5Kvlcq9
InChI InChI=1S/C22H36O4/c1-3-4-8-13-20(15-11-18-23)21(16-12-19-24)14-9-6-5-7-10-17-22(25)26-2/h11-12,15-16,18-21H,3-10,13-14,17H2,1-2H3/b15-11-,16-12+
InChIKey YLLHYWUOBDEKCF-UKVBVZPVSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42oApFbQe0
Name Methyl 9,10-bis(3-oxo-1-propenyl)pentadecanoate
Alternate Name(s) Methyl (11Z)-13-oxo-9-[(1E)-3-oxo-1-propenyl]-10-pentyl-11-tridecenoate
CAS Registry Number 95452-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-3-4-8-13-20(15-11-18-23)21(16-12-19-24)14-9-6-5-7-10-17-22(25)26-2/h11-12,15-16,18-21H,3-10,13-14,17H2,1-2H3/b15-11-,16-12+
InChIKey YLLHYWUOBDEKCF-UKVBVZPVSA-N
Molecular Weight 364.526 g/mol
SMILES C(=O)(OC)CCCCCCCC(\C=C\C=O)C(\C=C/C=O)CCCCC
SPLASH splash10-00l7-9520000000-72050ba428ed0a0f2d14
Source of Spectrum W5-1989-37918-27618
Wiley ID 1351021