| SpectraBase Spectrum ID |
D1nf7Z7Pqck |
| Name |
Valeramide, 2-methyl-N-benzyl-N-propyl- |
| 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/c1-4-9-14(3)16(18)17(12-5-2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3 |
| InChIKey |
NBWHQVHRWUULBZ-UHFFFAOYSA-N |
| Molecular Weight |
247.382 g/mol |
| SMILES |
C(=O)(N(CCC)CC1=CC=CC=C1)C(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815882 |
