For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

7-Benzoylheptanoic acid

View entire compound with spectra: 2 FTIR, 1 Raman, and 1 MS (GC)

7-Benzoylheptanoic acid
SpectraBase Compound ID 2TvLLarN4nN
InChI InChI=1S/C14H18O3/c15-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(16)17/h3-5,8-9H,1-2,6-7,10-11H2,(H,16,17)
InChIKey UMCSRRHQLAVYRS-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 81UmJ2094Or
Name 8-Oxo-8-phenyloctanoic acid
Alternate Name(s) 7-Benzoylheptanoic acid 8-keto-8-phenyl-caprylic acid 8-Oxidanylidene-8-phenyl-octanoic acid
CAS Registry Number 66147-75-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c15-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(16)17/h3-5,8-9H,1-2,6-7,10-11H2,(H,16,17)
InChIKey UMCSRRHQLAVYRS-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES OC(CCCCCCC(=O)c1ccccc1)=O
SPLASH splash10-0ab9-3900000000-8ef57f231a92625d506c
Source of Spectrum F-43-5788-10
Wiley ID 1236124