| SpectraBase Compound ID | GTguQPi4t94 |
|---|---|
| InChI | InChI=1S/C9H8N2OS/c1-12-8-4-2-7(3-5-8)11-9(13)6-10/h2-5H,1H3,(H,11,13) |
| InChIKey | JSNTULLDGTWAAQ-UHFFFAOYSA-N |
| Mol Weight | 192.24 g/mol |
| Molecular Formula | C9H8N2OS |
| Exact Mass | 192.035734 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FkvXs6Bb9sY |
|---|---|
| Name | N-(4-Methoxyphenyl)-2-nitrilothioacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.035734059 u |
| Formula | C9H8N2OS |
| InChI | InChI=1S/C9H8N2OS/c1-12-8-4-2-7(3-5-8)11-9(13)6-10/h2-5H,1H3,(H,11,13) |
| InChIKey | JSNTULLDGTWAAQ-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)NC(C#N)=S)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899458 |