| SpectraBase Spectrum ID |
AuDDoCl1vEs |
| Name |
Benzamide, 2,4,5-trifluoro-3-methoxy-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.160263439 u |
| Formula |
C16H22F3NO2 |
| InChI |
InChI=1S/C16H22F3NO2/c1-4-6-7-10(5-2)9-20-16(21)11-8-12(17)14(19)15(22-3)13(11)18/h8,10H,4-7,9H2,1-3H3,(H,20,21) |
| InChIKey |
XALOYQDUWHNKMB-UHFFFAOYSA-N |
| Molecular Weight |
317.352 g/mol |
| SMILES |
C(NCC(CCCC)CC)(=O)C=1C=C(C(=C(OC)C1F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934406 |
