SpectraBase Spectrum ID |
BOl0hUYe2pg |
Name |
Benzamide, 2,5-difluoro-N-(2-pentyl)-N-dodecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
395.299971205 u |
Formula |
C24H39F2NO |
InChI |
InChI=1S/C24H39F2NO/c1-4-6-7-8-9-10-11-12-13-14-18-27(20(3)15-5-2)24(28)22-19-21(25)16-17-23(22)26/h16-17,19-20H,4-15,18H2,1-3H3 |
InChIKey |
HITJTZMBSHTYPB-UHFFFAOYSA-N |
Molecular Weight |
395.579 g/mol |
SMILES |
C(C1=C(C=CC(=C1)F)F)(N(CCCCCCCCCCCC)C(CCC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850946 |