SpectraBase Spectrum ID |
BLyttAL5jwo |
Name |
Benzamide, 3,4-difluoro-N-butyl-N-decyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.253021012 u |
Formula |
C21H33F2NO |
InChI |
InChI=1S/C21H33F2NO/c1-3-5-7-8-9-10-11-12-16-24(15-6-4-2)21(25)18-13-14-19(22)20(23)17-18/h13-14,17H,3-12,15-16H2,1-2H3 |
InChIKey |
RYDFPLZCJILDRH-UHFFFAOYSA-N |
Molecular Weight |
353.498 g/mol |
SMILES |
C1(=CC=C(C=C1F)C(N(CCCCCCCCCC)CCCC)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838709 |