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
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.
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 |
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}- |