| SpectraBase Compound ID | 36skRl0ZNVW |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-13-12(14)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14) |
| InChIKey | YYMDEMWVVNDXPX-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7q2JDjq6oi3 |
|---|---|
| Name | Valeramide, 5-phenyl-N-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-13-12(14)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14) |
| InChIKey | YYMDEMWVVNDXPX-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C(=O)(NC)CCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960306 |