SpectraBase Spectrum ID |
CD5MOZoynW2 |
Name |
Benzamide, 3-chloro-2-fluoro-N-(2-pentyl)-N-tetradecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
439.301720871 u |
Formula |
C26H43ClFNO |
InChI |
InChI=1S/C26H43ClFNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-29(22(3)18-5-2)26(30)23-19-17-20-24(27)25(23)28/h17,19-20,22H,4-16,18,21H2,1-3H3 |
InChIKey |
CVFVIWJENJTTOJ-UHFFFAOYSA-N |
Molecular Weight |
440.087 g/mol |
SMILES |
C(C1=C(C(=CC=C1)Cl)F)(N(CCCCCCCCCCCCCC)C(CCC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862316 |