| SpectraBase Compound ID | 3koa67sUFYu |
|---|---|
| InChI | InChI=1S/C11H15NOS/c1-2-8-12-11(13)9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13) |
| InChIKey | CXKBVVRGSQTRMN-UHFFFAOYSA-N |
| Mol Weight | 209.31 g/mol |
| Molecular Formula | C11H15NOS |
| Exact Mass | 209.087435 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KVJWr4hR3MR |
|---|---|
| Name | Acetamide, 2-phenylthio-N-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.087435280 u |
| Formula | C11H15NOS |
| InChI | InChI=1S/C11H15NOS/c1-2-8-12-11(13)9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13) |
| InChIKey | CXKBVVRGSQTRMN-UHFFFAOYSA-N |
| Molecular Weight | 209.307 g/mol |
| SMILES | C(=O)(NCCC)CSC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925102 |