| SpectraBase Spectrum ID |
GsSH1sVmj5x |
| Name |
Hexanoylamide, 2-ethyl-N-benzyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.287514814 u |
| Formula |
C22H37NO |
| InChI |
InChI=1S/C22H37NO/c1-4-7-9-10-14-18-23(19-20-15-12-11-13-16-20)22(24)21(6-3)17-8-5-2/h11-13,15-16,21H,4-10,14,17-19H2,1-3H3 |
| InChIKey |
LQVRCPWXETXSAO-UHFFFAOYSA-N |
| Molecular Weight |
331.544 g/mol |
| SMILES |
C(N(CCCCCCC)CC1=CC=CC=C1)(=O)C(CC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956905 |
