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Benzenehexanoic acid, .beta.-oxo-.gamma.-propyl-, methyl ester
SpectraBase Compound ID AwRtOmXjQLM
InChI InChI=1S/C16H22O3/c1-3-7-14(15(17)12-16(18)19-2)11-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3
InChIKey VLWGHJHATYHKLK-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvBTwxhBgvT
Name Benzenehexanoic acid, .beta.-oxo-.gamma.-propyl-, methyl ester
Alternate Name(s) Methyl 3-oxo-4-(2-phenylethyl)heptanoate
CAS Registry Number 104620-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-3-7-14(15(17)12-16(18)19-2)11-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3
InChIKey VLWGHJHATYHKLK-UHFFFAOYSA-N
Molecular Weight 262.349 g/mol
SMILES C(C(=O)C(CCc1ccccc1)CCC)C(=O)OC
SPLASH splash10-056r-0900000000-6434f260cdc39e410178
Source of Spectrum C-108-7689-7
Wiley ID 1266125