| SpectraBase Compound ID | HwXS0rsnvr0 |
|---|---|
| InChI | InChI=1S/C9H11NOS/c1-2-11-9(12)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,12) |
| InChIKey | WXNKKAIEQXMTBZ-UHFFFAOYSA-N |
| Mol Weight | 181.25 g/mol |
| Molecular Formula | C9H11NOS |
| Exact Mass | 181.056135 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9PBTts0zOcm |
|---|---|
| Name | Thioxocarbanilic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.056135151 u |
| Formula | C9H11NOS |
| InChI | InChI=1S/C9H11NOS/c1-2-11-9(12)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,12) |
| InChIKey | WXNKKAIEQXMTBZ-UHFFFAOYSA-N |
| SMILES | N(C1=CC=CC=C1)C(OCC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.855433 |