4-(Methylthio)benzoic acid

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Systematic / IUPAC Name: 4-Methylsulfanylbenzoic acid

ID: Reference2607

Other Names: p-Methiobenzoic acid;
p-(Methylthio)benzoic acid;
4-(Methylmercapto)benzoic acid;
Benzoic acid, p-(methylthio)-;
Benzoic acid, 4-(methylthio)-

Formula: C8H8O2S

Spectral Data

4-(Methylthio)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 Fusion Lumos with ETD LBP ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 590
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 4/21/2015 12:02:16 PM
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Identificators

InChI InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key KWHCPERWLHBLOT-UHFFFAOYSA-N
Canonical SMILES CSC1=CC=C(C=C1)C(=O)O
CAS 13205486
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Other Names p-Methiobenzoic acid;
p-(Methylthio)benzoic acid;
4-(Methylmercapto)benzoic acid;
Benzoic acid, p-(methylthio)-;
Benzoic acid, 4-(methylthio)-

In Other Databases

ChEMBL CHEMBL99816
ChemIDPlus 013205486
ChemSpider 75095
PubChem 83230