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5-Oxo-6-phenylhexanoic acid

View entire compound with spectra: 1 MS (GC)

5-Oxo-6-phenylhexanoic acid
SpectraBase Compound ID 3L9QbGMan1k
InChI InChI=1S/C12H14O3/c13-11(7-4-8-12(14)15)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)
InChIKey QBGCYJWDIYHMOF-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eFQLDQgaZo
Name 5-Oxo-6-phenylhexanoic acid
Alternate Name(s) 5-Oxo-6-phenyl-hexanoic acid 5-Oxidanylidene-6-phenyl-hexanoic acid
CAS Registry Number 40564-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c13-11(7-4-8-12(14)15)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)
InChIKey QBGCYJWDIYHMOF-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES OC(CCCC(Cc1ccccc1)=O)=O
SPLASH splash10-0006-9100000000-6193256eab3fa0355b86
Source of Spectrum NP-4-4467-0
Wiley ID 1103947