| SpectraBase Spectrum ID |
3HGdyW9EpCS |
| Name |
Isovaleramide, N-benzyl-N-(hept-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.240564621 u |
| Formula |
C19H31NO |
| InChI |
InChI=1S/C19H31NO/c1-5-6-8-11-17(4)20(19(21)14-16(2)3)15-18-12-9-7-10-13-18/h7,9-10,12-13,16-17H,5-6,8,11,14-15H2,1-4H3 |
| InChIKey |
KVDTZXDHNHAPRT-UHFFFAOYSA-N |
| Molecular Weight |
289.463 g/mol |
| SMILES |
C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865831 |
