2-[(Phenylsulfinyl)methyl]benzoic acid

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Systematic / IUPAC Name: 2-[(Phenylsulfinyl)methyl]benzoic acid

ID: Reference7140

Other Names: 2-[(Benzenesulfinyl)methyl]benzoic acid;
Benzoic acid, 2-[(phenylsulfinyl)methyl]-

Formula: C14H12O3S

Spectral Data

2-[(Phenylsulfinyl)methyl]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 Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/6/2017 2:13:35 PM
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Identificators

InChI InChI=1S/C14H12O3S/c15-14(16)13-9-5-4-6-11(13)10-18(17)12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChI Key NNURJXUOUNBQCY-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)S(=O)CC2=CC=CC=C2C(=O)O
CAS
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Other Names 2-[(Benzenesulfinyl)methyl]benzoic acid;
Benzoic acid, 2-[(phenylsulfinyl)methyl]-

In Other Databases

ChemSpider 2103082
PubChem 2824907