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4,8-Decadienoic acid, 10-hydroxy-5,9-dimethyl-, methyl ester, (E,E)-
SpectraBase Compound ID Hua2IYGYKk
InChI InChI=1S/C13H22O3/c1-11(6-4-8-12(2)10-14)7-5-9-13(15)16-3/h7-8,14H,4-6,9-10H2,1-3H3/b11-7+,12-8+
InChIKey ZKBVJKTWETWMNK-MKICQXMISA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXjpeXYeDRo
Name 4,8-Decadienoic acid, 10-hydroxy-5,9-dimethyl-, methyl ester, (E,E)-
Alternate Name(s) (4E,8E)-methyl-10-hydroxy-5,9-dimethyldeca-4,8-dienoate Methyl (4E,8E)-10-hydroxy-5,9-dimethyl-4,8-decadienoate
CAS Registry Number 116315-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-11(6-4-8-12(2)10-14)7-5-9-13(15)16-3/h7-8,14H,4-6,9-10H2,1-3H3/b11-7+,12-8+
InChIKey ZKBVJKTWETWMNK-MKICQXMISA-N
Molecular Weight 226.316 g/mol
SMILES OC\C(=C\CC\C(=C\CCC(=O)OC)C)C
SPLASH splash10-0006-9000000000-3787b222d401c5c738ef
Source of Spectrum KC-1988-56-0
Wiley ID 1227613