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Benzenepentanoic acid, .gamma.-acetyl-.delta.-methyl-.beta.-oxo-, methyl ester
SpectraBase Compound ID GmDcYkjLVBH
InChI InChI=1S/C15H18O4/c1-10(12-7-5-4-6-8-12)15(11(2)16)13(17)9-14(18)19-3/h4-8,10,15H,9H2,1-3H3
InChIKey SIUNULAESXRAPN-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zJ7H5GyOxV
Name Benzenepentanoic acid, .gamma.-acetyl-.delta.-methyl-.beta.-oxo-, methyl ester
Alternate Name(s) Methyl 4-(1-phenyllethyl)-3,5-dioxohexanoate Methyl 4-acetyl-3-oxo-5-phenylhexanoate
CAS Registry Number 129006-50-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-10(12-7-5-4-6-8-12)15(11(2)16)13(17)9-14(18)19-3/h4-8,10,15H,9H2,1-3H3
InChIKey SIUNULAESXRAPN-UHFFFAOYSA-N
Molecular Weight 262.305 g/mol
SMILES C(C(C(c1ccccc1)C)C(=O)C)(CC(=O)OC)=O
SPLASH splash10-0aor-1910000000-6ca467d4761b1076a9d7
Source of Spectrum F-46-2042-5
Wiley ID 1265860