2-[(2-Methylphenyl)thio]benzoic acid

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Systematic / IUPAC Name: 2-[(2-Methylphenyl)sulfanyl]benzoic acid

ID: Reference3608

Other Names: Benzoic acid, 2-[(2-methylphenyl)thio]-;
2-o-Tolylsulfanyl-benzoic acid

Formula: C14H12O2S

Spectral Data

2-[(2-Methylphenyl)thio]benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 300
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/15/2016 6:19:48 AM
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Identificators

InChI InChI=1S/C14H12O2S/c1-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key YLXSMYHGUVJZLR-UHFFFAOYSA-N
Canonical SMILES CC1=CC=CC=C1SC2=CC=CC=C2C(=O)O
CAS
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Other Names Benzoic acid, 2-[(2-methylphenyl)thio]-;
2-o-Tolylsulfanyl-benzoic acid

In Other Databases

PubChem 2824879
ChemSpider 2103054