| SpectraBase Compound ID | K5emDh4zJ7r |
|---|---|
| InChI | InChI=1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12) |
| InChIKey | DQMWMUMCNOJLSI-UHFFFAOYSA-N |
| Mol Weight | 180.22 g/mol |
| Molecular Formula | C8H8N2OS |
| Exact Mass | 180.035734 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8QgGsTNP2hp |
|---|---|
| Name | 1-Benzoyl-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.035734059 u |
| Formula | C8H8N2OS |
| InChI | InChI=1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12) |
| InChIKey | DQMWMUMCNOJLSI-UHFFFAOYSA-N |
| SMILES | N(C(C1=CC=CC=C1)=O)C(N)=S |
| Spectrum/Structure Validation Score (Raman) | 0.984451 |