| SpectraBase Spectrum ID |
2lrxbjFbZTq |
| Name |
Benzamide, 2,4,5-trifluoro-3-methoxy-N-(2-phenylethyl)-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.207213633 u |
| Formula |
C23H28F3NO2 |
| InChI |
InChI=1S/C23H28F3NO2/c1-3-4-5-6-10-14-27(15-13-17-11-8-7-9-12-17)23(28)18-16-19(24)21(26)22(29-2)20(18)25/h7-9,11-12,16H,3-6,10,13-15H2,1-2H3 |
| InChIKey |
GLLRWDWVNRTUDQ-UHFFFAOYSA-N |
| Molecular Weight |
407.477 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=C(C(F)=C(C1)F)OC)F)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828997 |
