| SpectraBase Spectrum ID |
1Xov3On93UF |
| Name |
Biphenyl-, 3,3',5,5'-tetra(trifluoromethyl)-4-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
471.012866359 u |
| Formula |
C16H5F12NO2 |
| InChI |
InChI=1S/C16H5F12NO2/c17-13(18,19)8-1-6(2-9(5-8)14(20,21)22)7-3-10(15(23,24)25)12(29(30)31)11(4-7)16(26,27)28/h1-5H |
| InChIKey |
PBPOCAMWFKMUDS-UHFFFAOYSA-N |
| Molecular Weight |
471.202 g/mol |
| SMILES |
C1(=C(C(C(F)(F)F)=CC(=C1)C=1C=C(C(F)(F)F)C=C(C(F)(F)F)C1)N(=O)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918042 |
