SpectraBase Spectrum ID |
4Xj6XUbvWP |
Name |
Cyclopentanecarboxamide, N-(2-phenylethyl)-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/c1-2-3-4-10-16-21(20(22)19-13-8-9-14-19)17-15-18-11-6-5-7-12-18/h5-7,11-12,19H,2-4,8-10,13-17H2,1H3 |
InChIKey |
BTZMYLXFZHSIEU-UHFFFAOYSA-N |
SMILES |
C1(=CC=CC=C1)CCN(C(=O)C1CCCC1)CCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973784 |