| SpectraBase Compound ID | sD5egkDvFZ |
|---|---|
| InChI | InChI=1S/C9H11NS/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11) |
| InChIKey | DAENMPDSCKPTEP-UHFFFAOYSA-N |
| Mol Weight | 165.25 g/mol |
| Molecular Formula | C9H11NS |
| Exact Mass | 165.061221 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8C81nASfdD7 |
|---|---|
| Name | N-Benzylethanethioamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.061220532 u |
| Formula | C9H11NS |
| InChI | InChI=1S/C9H11NS/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11) |
| InChIKey | DAENMPDSCKPTEP-UHFFFAOYSA-N |
| Molecular Weight | 165.254 g/mol |
| SMILES | CC(NCC1=CC=CC=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947216 |