| SpectraBase Spectrum ID |
KEuu8Wcpp7S |
| Name |
p-{[(2-thioxo-3-benzothiazolinyl)methyl]amino}benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Raman) |
0.942753 |
![p-{[(2-thioxo-3-benzothiazolinyl)methyl]amino}benzoic acid](/api/spectrum/KEuu8Wcpp7S/structure.png?h=300&w=458 "p-{[(2-thioxo-3-benzothiazolinyl)methyl]amino}benzoic acid")
