2-{[2-(3-Nitrophenyl)-2-oxoethyl]thio}benzoic acid

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Systematic / IUPAC Name: 2-{[2-(3-Nitrophenyl)-2-oxoethyl]sulfanyl}benzoic acid

ID: Reference4633

Other Names: Benzoic acid, 2-{[2-(3-nitrophenyl)-2-oxoethyl]thio}-

Formula: C15H11NO5S

Spectral Data

2-{[2-(3-Nitrophenyl)-2-oxoethyl]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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/25/2016 1:07:44 PM
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Identificators

InChI InChI=1S/C15H11NO5S/c17-13(10-4-3-5-11(8-10)16(20)21)9-22-14-7-2-1-6-12(14)15(18)19/h1-8H,9H2,(H,18,19)
InChI Key DTQZERMRFCQRDA-UHFFFAOYSA-N
Canonical SMILES
CAS
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Other Names Benzoic acid, 2-{[2-(3-nitrophenyl)-2-oxoethyl]thio}-

In Other Databases

ChemSpider 2085989
PubChem 2807541