| SpectraBase Spectrum ID |
BZKltbBj0gC |
| Name |
Valeramide, 2-methyl-N-benzyl-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.271864750 u |
| Formula |
C21H35NO |
| InChI |
InChI=1S/C21H35NO/c1-5-8-13-19(7-3)16-22(21(23)18(4)12-6-2)17-20-14-10-9-11-15-20/h9-11,14-15,18-19H,5-8,12-13,16-17H2,1-4H3 |
| InChIKey |
JLLRDRYAAJVEHW-UHFFFAOYSA-N |
| Molecular Weight |
317.517 g/mol |
| SMILES |
C(=O)(N(CC(CCCC)CC)CC1=CC=CC=C1)C(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870922 |
