| SpectraBase Compound ID | JaIBjhTHl9y |
|---|---|
| InChI | InChI=1S/C8H8N2OS/c9-7(12)8(11)10-6-4-2-1-3-5-6/h1-5H,(H2,9,12)(H,10,11) |
| InChIKey | ACHLJQDJYGTWBN-UHFFFAOYSA-N |
| Mol Weight | 180.23 g/mol |
| Molecular Formula | C8H8N2OS |
| Exact Mass | 180.035734 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BRFpc5sgKuu |
|---|---|
| Name | Acetamide, 2-amino-N-phenyl-2-thioxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.035734059 u |
| Formula | C8H8N2OS |
| InChI | InChI=1S/C8H8N2OS/c9-7(12)8(11)10-6-4-2-1-3-5-6/h1-5H,(H2,9,12)(H,10,11) |
| InChIKey | ACHLJQDJYGTWBN-UHFFFAOYSA-N |
| Molecular Weight | 180.225 g/mol |
| SMILES | C(NC1=CC=CC=C1)(=O)C(N)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93916 |