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2-(3-Methylbenzyl)benzoic acid

View entire compound with spectra: 1 MS (GC)

2-(3-Methylbenzyl)benzoic acid
SpectraBase Compound ID 1yg4L5CnLxM
InChI InChI=1S/C15H14O2/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14(13)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey VKODRKKYDYFEEV-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C15H14O2
Exact Mass 226.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AngaohqieL8
Name 2-(3-Methylbenzyl)benzoic acid
Alternate Name(s) 2-(m-tolylmethyl)benzoic acid
CAS Registry Number 69653-10-7
Comments Less than 3 mono-isotopic peaks
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Formula C15H14O2
InChI InChI=1S/C15H14O2/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14(13)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey VKODRKKYDYFEEV-UHFFFAOYSA-N
Molecular Weight 226.275 g/mol
SMILES OC(c1c(Cc2cc(C)ccc2)cccc1)=O
SPLASH splash10-0a4i-0090000000-a98e9da7d65b86b71f6d
Source of Spectrum J-44-1947-0
Wiley ID 1227965