![2-hydroxy-5-({[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoic acid](/api/spectrum/4jYZdj0Bjpu/structure.png?h=300&w=458 "2-hydroxy-5-({[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoic acid")
| SpectraBase Compound ID | K8PUXA01aT2 |
|---|---|
| InChI | InChI=1S/C17H15N3O4S/c1-9-2-4-12-13(6-9)20-17(19-12)25-8-15(22)18-10-3-5-14(21)11(7-10)16(23)24/h2-7,21H,8H2,1H3,(H,18,22)(H,19,20)(H,23,24) |
| InChIKey | PHCXBHMGAWLUFN-UHFFFAOYSA-N |
| Mol Weight | 357.38 g/mol |
| Molecular Formula | C17H15N3O4S |
| Exact Mass | 357.078327 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4jYZdj0Bjpu |
|---|---|
| Name | 2-hydroxy-5-({[(5-methyl-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 | 357.078327145 u |
| Formula | C17H15N3O4S |
| InChI | InChI=1S/C17H15N3O4S/c1-9-2-4-12-13(6-9)20-17(19-12)25-8-15(22)18-10-3-5-14(21)11(7-10)16(23)24/h2-7,21H,8H2,1H3,(H,18,22)(H,19,20)(H,23,24) |
| InChIKey | PHCXBHMGAWLUFN-UHFFFAOYSA-N |
| Molecular Weight | 357.384 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_4399 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12309276 |