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4-Octenoic acid, 6-ethyl-3-hydroxy-3,7-dimethyl-, methyl ester
SpectraBase Compound ID 9GPCnvtUB8
InChI InChI=1S/C13H24O3/c1-6-11(10(2)3)7-8-13(4,15)9-12(14)16-5/h7-8,10-11,15H,6,9H2,1-5H3/b8-7+
InChIKey GQXQSUXGBUEGCC-BQYQJAHWSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AL9asDWzKpD
Name 4-Octenoic acid, 6-ethyl-3-hydroxy-3,7-dimethyl-, methyl ester
CAS Registry Number 41654-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-6-11(10(2)3)7-8-13(4,15)9-12(14)16-5/h7-8,10-11,15H,6,9H2,1-5H3/b8-7+
InChIKey GQXQSUXGBUEGCC-BQYQJAHWSA-N
Molecular Weight 228.332 g/mol
SMILES OC(\C=C\C(C(C)C)CC)(CC(=O)OC)C
SPLASH splash10-0006-9200000000-51e973f4a2d641dd511b
Source of Spectrum EP-6649-0-0
Synonyms Methyl (4E)-6-ethyl-3-hydroxy-3,7-dimethyl-4-octenoate Methyl 3.zeta.-hydroxy-3.zeta.-methyl-6.zeta.-isopropyl-4e-octenoate
Wiley ID 1229749