| SpectraBase Spectrum ID |
3R0Orosiwm4 |
| Name |
Benzamide, N,N-didecyl-2,3,4-trifluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.337499529 u |
| Formula |
C27H44F3NO |
| InChI |
InChI=1S/C27H44F3NO/c1-3-5-7-9-11-13-15-17-21-31(22-18-16-14-12-10-8-6-4-2)27(32)23-19-20-24(28)26(30)25(23)29/h19-20H,3-18,21-22H2,1-2H3 |
| InChIKey |
QTXNKCBSPWQSPD-UHFFFAOYSA-N |
| Molecular Weight |
455.650 g/mol |
| SMILES |
C1(=C(C=CC(=C1F)C(N(CCCCCCCCCC)CCCCCCCCCC)=O)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876326 |
