| SpectraBase Spectrum ID |
Gez2pA0SQPy |
| Name |
Benzamide, 2,4,5-trifluoro-3-methoxy-N-(2-phenylethyl)-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.222863697 u |
| Formula |
C24H30F3NO2 |
| InChI |
InChI=1S/C24H30F3NO2/c1-4-6-10-17(5-2)16-28(14-13-18-11-8-7-9-12-18)24(29)19-15-20(25)22(27)23(30-3)21(19)26/h7-9,11-12,15,17H,4-6,10,13-14,16H2,1-3H3 |
| InChIKey |
CNRLKSHFRXNXMY-UHFFFAOYSA-N |
| Molecular Weight |
421.504 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=C(C(F)=C(C1)F)OC)F)CC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899393 |
