SpectraBase Spectrum ID |
2v1mHMuwGCt |
Name |
Cyclohexanecarboxamide, N-(2-phenylethyl)-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
287.224914557 u |
Formula |
C19H29NO |
InChI |
InChI=1S/C19H29NO/c1-2-3-15-20(16-14-17-10-6-4-7-11-17)19(21)18-12-8-5-9-13-18/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3 |
InChIKey |
RUIXZUZKMHWITD-UHFFFAOYSA-N |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C1CCCCC1)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932193 |