SpectraBase Spectrum ID |
JzKC8jHF7x1 |
Name |
Benzamide, 4-chloro-N-(2-phenylethyl)-N-decyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
399.232892418 u |
Formula |
C25H34ClNO |
InChI |
InChI=1S/C25H34ClNO/c1-2-3-4-5-6-7-8-12-20-27(21-19-22-13-10-9-11-14-22)25(28)23-15-17-24(26)18-16-23/h9-11,13-18H,2-8,12,19-21H2,1H3 |
InChIKey |
XSMXZMNPHKPHTF-UHFFFAOYSA-N |
Molecular Weight |
400.006 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)Cl)CCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834109 |