![p-{[(2-thioxo-3-benzothiazolinyl)methyl]amino}benzoic acid](/api/spectrum/47wPgnZd4BY/structure.png?h=300&w=458 "p-{[(2-thioxo-3-benzothiazolinyl)methyl]amino}benzoic acid")
| SpectraBase Compound ID | FIdU1buxdrU |
|---|---|
| InChI | InChI=1S/C15H12N2O2S2/c18-14(19)10-5-7-11(8-6-10)16-9-17-12-3-1-2-4-13(12)21-15(17)20/h1-8,16H,9H2,(H,18,19) |
| InChIKey | DKDLNTQSYSQOAY-UHFFFAOYSA-N |
| Mol Weight | 316.39 g/mol |
| Molecular Formula | C15H12N2O2S2 |
| Exact Mass | 316.03402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47wPgnZd4BY |
|---|---|
| Name | p-{[(2-thioxo-3-benzothiazolinyl)methyl]amino}benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.034019980 u |
| Formula | C15H12N2O2S2 |
| InChI | InChI=1S/C15H12N2O2S2/c18-14(19)10-5-7-11(8-6-10)16-9-17-12-3-1-2-4-13(12)21-15(17)20/h1-8,16H,9H2,(H,18,19) |
| InChIKey | DKDLNTQSYSQOAY-UHFFFAOYSA-N |
| Molecular Weight | 316.393 g/mol |
| SMILES | N(CN1C(SC=2C=CC=CC12)=S)C=1C=CC(C(O)=O)=CC1 |