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Methyl 3-oxo-4-phenylheptanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl 3-oxo-4-phenylheptanoate
SpectraBase Compound ID 6HesyzcbRcH
InChI InChI=1S/C14H18O3/c1-3-7-12(11-8-5-4-6-9-11)13(15)10-14(16)17-2/h4-6,8-9,12H,3,7,10H2,1-2H3
InChIKey KCZJIRKBJGZKLI-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Da72RJkbCX
Name Methyl 3-oxo-4-phenylheptanoate
CAS Registry Number 104620-35-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-7-12(11-8-5-4-6-9-11)13(15)10-14(16)17-2/h4-6,8-9,12H,3,7,10H2,1-2H3
InChIKey KCZJIRKBJGZKLI-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C(CC(=O)OC)(C(c1ccccc1)CCC)=O
SPLASH splash10-0f89-0920000000-a00cf271b73fef5ea99e
Source of Spectrum C-108-7691-13
Wiley ID 1236116