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

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

ID: Reference4028

Other Names: Benzoic acid, 2-[(2-carboxyethyl)thio]-

Formula: C10H10O4S

Spectral Data

2-[(2-Carboxyethyl)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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 67
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/1/2016 2:28:12 PM
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Identificators

InChI InChI=1S/C10H10O4S/c11-9(12)5-6-15-8-4-2-1-3-7(8)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChI Key NDKGQQDWNLMZND-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C(=C1)C(=O)O)SCCC(=O)O
CAS
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Other Names Benzoic acid, 2-[(2-carboxyethyl)thio]-

In Other Databases

ChemSpider 634052
PubChem 726127