![2-hydroxy-5-({[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoic acid](/api/spectrum/KZfmrslURiT/structure.png?h=300&w=458 "2-hydroxy-5-({[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoic acid")
| SpectraBase Compound ID | EZJlZ8BLiPg |
|---|---|
| InChI | InChI=1S/C16H12N4O6S/c21-13-4-1-8(5-10(13)15(23)24)17-14(22)7-27-16-18-11-3-2-9(20(25)26)6-12(11)19-16/h1-6,21H,7H2,(H,17,22)(H,18,19)(H,23,24) |
| InChIKey | WMBQSENWLFIMCQ-UHFFFAOYSA-N |
| Mol Weight | 388.35 g/mol |
| Molecular Formula | C16H12N4O6S |
| Exact Mass | 388.047755 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | KZfmrslURiT |
|---|---|
| Name | 2-hydroxy-5-({[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoic acid |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.047755290 u |
| Formula | C16H12N4O6S |
| InChI | InChI=1S/C16H12N4O6S/c21-13-4-1-8(5-10(13)15(23)24)17-14(22)7-27-16-18-11-3-2-9(20(25)26)6-12(11)19-16/h1-6,21H,7H2,(H,17,22)(H,18,19)(H,23,24) |
| InChIKey | WMBQSENWLFIMCQ-UHFFFAOYSA-N |
| Molecular Weight | 388.354 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_4400 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12309277 |