| SpectraBase Spectrum ID |
LyS6SSLdsKI |
| Name |
Benzamide, 3-chloro-2-fluoro-N-(2-phenylethyl)-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.239120613 u |
| Formula |
C26H35ClFNO |
| InChI |
InChI=1S/C26H35ClFNO/c1-2-3-4-5-6-7-8-9-13-20-29(21-19-22-15-11-10-12-16-22)26(30)23-17-14-18-24(27)25(23)28/h10-12,14-18H,2-9,13,19-21H2,1H3 |
| InChIKey |
JXHRVGCPLJDSTH-UHFFFAOYSA-N |
| Molecular Weight |
432.023 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC=C(C1F)Cl)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839072 |
