| SpectraBase Compound ID | 69BtzHh509i |
|---|---|
| InChI | InChI=1S/C9H9ClN2S/c10-7-1-3-8(4-2-7)11-9(13)12-5-6-12/h1-4H,5-6H2,(H,11,13) |
| InChIKey | NTDMAWSIYYVWBC-UHFFFAOYSA-N |
| Mol Weight | 212.7 g/mol |
| Molecular Formula | C9H9ClN2S |
| Exact Mass | 212.017497 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | fg9Si5sQw8 |
|---|---|
| Name | 4'-Chlorothio-1-aziridinecarboxanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.017497172 u |
| Formula | C9H9ClN2S |
| InChI | InChI=1S/C9H9ClN2S/c10-7-1-3-8(4-2-7)11-9(13)12-5-6-12/h1-4H,5-6H2,(H,11,13) |
| InChIKey | NTDMAWSIYYVWBC-UHFFFAOYSA-N |
| Molecular Weight | 212.698 g/mol |
| SMILES | N(C(=S)N1CC1)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.852273 |