| SpectraBase Compound ID | LfDrx8e4po1 |
|---|---|
| InChI | InChI=1S/C9H10ClNOS/c1-11(2)9(12)13-8-6-4-3-5-7(8)10/h3-6H,1-2H3 |
| InChIKey | SQUMZINGOODWNK-UHFFFAOYSA-N |
| Mol Weight | 215.7 g/mol |
| Molecular Formula | C9H10ClNOS |
| Exact Mass | 215.017163 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JguEj1Xz2Sd |
|---|---|
| Name | Carbamothioic acid, dimethyl-, S-(2-chlorophenyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.017162819 u |
| Formula | C9H10ClNOS |
| InChI | InChI=1S/C9H10ClNOS/c1-11(2)9(12)13-8-6-4-3-5-7(8)10/h3-6H,1-2H3 |
| InChIKey | SQUMZINGOODWNK-UHFFFAOYSA-N |
| Molecular Weight | 215.698 g/mol |
| SMILES | C1(=C(C=CC=C1)SC(N(C)C)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.827265 |