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

*Links on SpectraBase are not permalinks.

9-Benzoylnonanoic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

9-Benzoylnonanoic acid
SpectraBase Compound ID JXasMAKEv8T
InChI InChI=1S/C16H22O3/c17-15(14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-16(18)19/h5-7,10-11H,1-4,8-9,12-13H2,(H,18,19)
InChIKey KZXDTTMFTKLRDV-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID I57L8Q0lYG5
Name 9-Benzoylnonanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.156894565 u
Formula C16H22O3
InChI InChI=1S/C16H22O3/c17-15(14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-16(18)19/h5-7,10-11H,1-4,8-9,12-13H2,(H,18,19)
InChIKey KZXDTTMFTKLRDV-UHFFFAOYSA-N
Molecular Weight 262.349 g/mol
SMILES C(CCCCCCCCC(C1=CC=CC=C1)=O)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956686