| SpectraBase Spectrum ID |
3rTabvP3qlk |
| Name |
4-Nitro-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.038097445 u |
| Formula |
C14H7F6NO2 |
| InChI |
InChI=1S/C14H7F6NO2/c15-13(16,17)11-4-2-1-3-9(11)10-6-5-8(21(22)23)7-12(10)14(18,19)20/h1-7H |
| InChIKey |
YVDBBOAHFVDTFF-UHFFFAOYSA-N |
| Molecular Weight |
335.205 g/mol |
| SMILES |
C=1(C(=CC(=CC1)N(=O)=O)C(F)(F)F)C=1C(=CC=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94725 |
![4-Nitro-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene](/api/spectrum/3rTabvP3qlk/structure.png?h=300&w=458 "4-Nitro-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene")
