| SpectraBase Spectrum ID |
ALiq4C1Pg2n |
| Name |
1-(3,5-di-(Trifluoromethyl)phenyl)-2-nitroethene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.022447381 u |
| Formula |
C10H5F6NO2 |
| InChI |
InChI=1S/C10H5F6NO2/c11-9(12,13)7-3-6(1-2-17(18)19)4-8(5-7)10(14,15)16/h1-5H/b2-1- |
| InChIKey |
YWHRYXZJZWKPRI-UPHRSURJSA-N |
| Molecular Weight |
285.145 g/mol |
| SMILES |
C(C1=CC(C(F)(F)F)=CC(=C1)\C=C/[N+](=O)[O-])(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970338 |
