2-(Benzylsulfanyl)benzoic acid

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Systematic / IUPAC Name: 2-Benzylsulfanylbenzoic acid

ID: Reference8633

Other Names: 2-(Benzylsulfanyl)benzenecarboxylic acid;
2-(Benzylthio)benzoic acid;
2-(Phenylmethylthio)benzoic acid;
Benzoic acid, 2-[(phenylmethyl)thio]-;
Benzylsulfanylbenzenecarboxylicacid

Formula: C14H12O2S

Spectral Data

2-(Benzylsulfanyl)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 1
No. of Spectra 108
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 9:13:18 AM
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Identificators

InChI InChI=1S/C14H12O2S/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChI Key IQMZULGMADGDLC-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O
CAS 1531802
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Other Names 2-(Benzylsulfanyl)benzenecarboxylic acid;
2-(Benzylthio)benzoic acid;
2-(Phenylmethylthio)benzoic acid;
Benzoic acid, 2-[(phenylmethyl)thio]-;
Benzylsulfanylbenzenecarboxylicacid

In Other Databases

PubChem 264182
ChemSpider 232116