![4-[(Phenylcarbamothioylamino)methyl]benzoic acid](/api/spectrum/GTxo1SZm7Jv/structure.png?h=300&w=458 "4-[(Phenylcarbamothioylamino)methyl]benzoic acid")
| SpectraBase Compound ID | HrqLzPrubQM |
|---|---|
| InChI | InChI=1S/C15H14N2O2S/c18-14(19)12-8-6-11(7-9-12)10-16-15(20)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19)(H2,16,17,20) |
| InChIKey | ALCIWUZRFUTUMI-UHFFFAOYSA-N |
| Mol Weight | 286.35 g/mol |
| Molecular Formula | C15H14N2O2S |
| Exact Mass | 286.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTxo1SZm7Jv |
|---|---|
| Name | 4-[(Phenylcarbamothioylamino)methyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.077598871 u |
| Formula | C15H14N2O2S |
| InChI | InChI=1S/C15H14N2O2S/c18-14(19)12-8-6-11(7-9-12)10-16-15(20)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19)(H2,16,17,20) |
| InChIKey | ALCIWUZRFUTUMI-UHFFFAOYSA-N |
| SMILES | C(NC=1C=CC=CC1)(=S)NCC=1C=CC(C(=O)O)=CC1 |