| SpectraBase Compound ID | 1FOtLcFXjNc |
|---|---|
| InChI | InChI=1S/C10H9NOS2/c1-7-9(12)11(10(13)14-7)8-5-3-2-4-6-8/h2-7H,1H3 |
| InChIKey | WKBKYNUBRWILMY-UHFFFAOYSA-N |
| Mol Weight | 223.31 g/mol |
| Molecular Formula | C10H9NOS2 |
| Exact Mass | 223.012556 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KqcCd5iDKM7 |
|---|---|
| Name | 5-Methyl-3-phenylrhodanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.012556261 u |
| Formula | C10H9NOS2 |
| InChI | InChI=1S/C10H9NOS2/c1-7-9(12)11(10(13)14-7)8-5-3-2-4-6-8/h2-7H,1H3 |
| InChIKey | WKBKYNUBRWILMY-UHFFFAOYSA-N |
| Molecular Weight | 223.308 g/mol |
| SMILES | C=1C(=CC=CC1)N1C(C(SC1=S)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.852557 |