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2-(Phenylcarbonyl)pentanoic acid

View entire compound with spectra: 1 MS (GC)

2-(Phenylcarbonyl)pentanoic acid
SpectraBase Compound ID 4Ug7W4iabKD
InChI InChI=1S/C12H14O3/c1-2-6-10(12(14)15)11(13)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,14,15)
InChIKey PBSPQZHJEDTHTL-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 2KQizmZlb6
Name 2-(Phenylcarbonyl)pentanoic acid
Alternate Name(s) 2-Benzoylpentanoic acid 2-Benzoylvaleric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-2-6-10(12(14)15)11(13)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,14,15)
InChIKey PBSPQZHJEDTHTL-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES OC(C(C(=O)c1ccccc1)CCC)=O
SPLASH splash10-0a4r-0920000000-d498cc67e0a374e87a53
Source of Spectrum AU-689-2958-7
Wiley ID 1575993