| SpectraBase Spectrum ID |
8b7vjxYKkSW |
| Name |
Cyclohexanecarboxamide, N-(3,5-dimethylbenzyl)-N-pentyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.256214686 u |
| Formula |
C21H33NO |
| InChI |
InChI=1S/C21H33NO/c1-4-5-9-12-22(21(23)20-10-7-6-8-11-20)16-19-14-17(2)13-18(3)15-19/h13-15,20H,4-12,16H2,1-3H3 |
| InChIKey |
JRDFUJYVISJYFF-UHFFFAOYSA-N |
| Molecular Weight |
315.501 g/mol |
| SMILES |
C(N(CC1=CC(=CC(C)=C1)C)C(=O)C1CCCCC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806435 |
