| SpectraBase Spectrum ID |
BRuqB56H1Wn |
| Name |
Benzamide, 3-fluoro-5-trifluoromethyl-N-(2-butyl)-N-(hept-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.202877144 u |
| Formula |
C19H27F4NO |
| InChI |
InChI=1S/C19H27F4NO/c1-5-7-8-9-14(4)24(13(3)6-2)18(25)15-10-16(19(21,22)23)12-17(20)11-15/h10-14H,5-9H2,1-4H3 |
| InChIKey |
IZRJPJJFBHQPHO-UHFFFAOYSA-N |
| Molecular Weight |
361.425 g/mol |
| SMILES |
C(N(C(CC)C)C(=O)C=1C=C(C=C(C(F)(F)F)C1)F)(CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9334 |
