SpectraBase Spectrum ID |
K4PlmyF9q3s |
Name |
Cyclopropanecarboxamide, 2-phenyl-N-(2-butyl)-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
301.240564621 u |
Formula |
C20H31NO |
InChI |
InChI=1S/C20H31NO/c1-4-6-7-11-14-21(16(3)5-2)20(22)19-15-18(19)17-12-9-8-10-13-17/h8-10,12-13,16,18-19H,4-7,11,14-15H2,1-3H3 |
InChIKey |
ADAPQTLVFPUHMY-UHFFFAOYSA-N |
SMILES |
C(N(CCCCCC)C(CC)C)(=O)C1CC1C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932765 |