| SpectraBase Compound ID | 6jjYmptNXFZ |
|---|---|
| InChI | InChI=1S/C8H8N2O2S/c9-8(13)10-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13) |
| InChIKey | FOYDMXZTPAEILY-UHFFFAOYSA-N |
| Mol Weight | 196.22 g/mol |
| Molecular Formula | C8H8N2O2S |
| Exact Mass | 196.030649 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EDUImmxaYXt |
|---|---|
| Name | p-(2-Thioureido)benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.030648678 u |
| Formula | C8H8N2O2S |
| InChI | InChI=1S/C8H8N2O2S/c9-8(13)10-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13) |
| InChIKey | FOYDMXZTPAEILY-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C(O)=O)C=C1)C(N)=S |
| Spectrum/Structure Validation Score (Raman) | 0.937351 |