| SpectraBase Spectrum ID |
DlV4ZtkoBIL |
| Name |
Propionamide, 3-phenyl-N-propyl-N-isobutyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.193614428 u |
| Formula |
C16H25NO |
| InChI |
InChI=1S/C16H25NO/c1-4-12-17(13-14(2)3)16(18)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3 |
| InChIKey |
YVNRNZQSUVFOPG-UHFFFAOYSA-N |
| Molecular Weight |
247.382 g/mol |
| SMILES |
C(=O)(N(CCC)CC(C)C)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897325 |
