| SpectraBase Compound ID | LXsF1KEirO6 |
|---|---|
| InChI | InChI=1S/C8H7ClN2OS/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13) |
| InChIKey | UROWSAGPOYOHJT-UHFFFAOYSA-N |
| Mol Weight | 214.67 g/mol |
| Molecular Formula | C8H7ClN2OS |
| Exact Mass | 213.996762 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2C58TtwsXvK |
|---|---|
| Name | Benzamide, N-(aminothioxomethyl)-2-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.996761726 u |
| Formula | C8H7ClN2OS |
| InChI | InChI=1S/C8H7ClN2OS/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13) |
| InChIKey | UROWSAGPOYOHJT-UHFFFAOYSA-N |
| SMILES | N(C(C1=CC=CC=C1Cl)=O)C(N)=S |
| Spectrum/Structure Validation Score (Raman) | 0.950196 |