| SpectraBase Compound ID | ARoz7CtQogS |
|---|---|
| InChI | InChI=1S/C7H8N2S/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10) |
| InChIKey | ZKWTUTBIHCNCKU-UHFFFAOYSA-N |
| Mol Weight | 152.21 g/mol |
| Molecular Formula | C7H8N2S |
| Exact Mass | 152.040819 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DSp4P5UxKAX |
|---|---|
| Name | 3-Aminothiobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.040819440 u |
| Formula | C7H8N2S |
| InChI | InChI=1S/C7H8N2S/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10) |
| InChIKey | ZKWTUTBIHCNCKU-UHFFFAOYSA-N |
| Molecular Weight | 152.215 g/mol |
| SMILES | C1=C(C=CC=C1N)C(N)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855615 |