| SpectraBase Compound ID | HusXmhN5jYh |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-10(2)13-12(14)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14) |
| InChIKey | ZYRLCOGVOHEKBK-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 | CKq9v8Ug16j |
|---|---|
| Name | N-Isopropyl-3-phenylpropanamide |
| 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/c1-10(2)13-12(14)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14) |
| InChIKey | ZYRLCOGVOHEKBK-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C1(=CC=CC=C1)CCC(=O)NC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957882 |