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5-Benzoylvaleric acid

View entire compound with spectra: 1 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

5-Benzoylvaleric acid
SpectraBase Compound ID LwsnOz2DYET
InChI InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChIKey AIEMSTCGCMIJTI-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 DW04HhPDY8m
Name 6-oxo-6-phenyl-hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChIKey AIEMSTCGCMIJTI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/asia.202201101
Molecular Weight 206.241 g/mol
Quality 224
SMILES OC(CCCCC(C1=CC=CC=C1)=O)=O
SPLASH splash10-0a4i-4900000000-f886780bc4a85029da1c
Source of Spectrum CAJ-18-SM4-4-1 (DOI: 10.1002/asia.202201101)
Wiley ID 1901122