SpectraBase Spectrum ID |
DFhvBre8PjL |
Name |
Benzamide, 3-chloro-2-fluoro-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 |
417.223470549 u |
Formula |
C25H33ClFNO |
InChI |
InChI=1S/C25H33ClFNO/c1-2-3-4-5-6-7-8-12-19-28(20-18-21-14-10-9-11-15-21)25(29)22-16-13-17-23(26)24(22)27/h9-11,13-17H,2-8,12,18-20H2,1H3 |
InChIKey |
NZESNLCAFPKQFD-UHFFFAOYSA-N |
Molecular Weight |
417.996 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC=C(C1F)Cl)CCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807329 |