| SpectraBase Compound ID | FUDrrDKEmvd |
|---|---|
| InChI | InChI=1S/C13H12N2OS/c16-12-8-4-7-11(9-12)15-13(17)14-10-5-2-1-3-6-10/h1-9,16H,(H2,14,15,17) |
| InChIKey | BTFREYNHBKXMCJ-UHFFFAOYSA-N |
| Mol Weight | 244.31 g/mol |
| Molecular Formula | C13H12N2OS |
| Exact Mass | 244.067034 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3NyHnNF7eZe |
|---|---|
| Name | 3-Hydroxythiocarbanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.067034187 u |
| Formula | C13H12N2OS |
| InChI | InChI=1S/C13H12N2OS/c16-12-8-4-7-11(9-12)15-13(17)14-10-5-2-1-3-6-10/h1-9,16H,(H2,14,15,17) |
| InChIKey | BTFREYNHBKXMCJ-UHFFFAOYSA-N |
| Molecular Weight | 244.312 g/mol |
| SMILES | OC=1C=C(C=CC1)NC(NC=1C=CC=CC1)=S |
| Spectrum/Structure Validation Score (Raman) | 0.980554 |