| SpectraBase Spectrum ID |
1l0ePSAYzpl |
| Name |
1-(3-(Trifluoromethyl)phenyl)-2-nitrobut-1-ene I |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.066363053 u |
| Formula |
C11H10F3NO2 |
| InChI |
InChI=1S/C11H10F3NO2/c1-2-10(15(16)17)7-8-4-3-5-9(6-8)11(12,13)14/h3-7H,2H2,1H3/b10-7- |
| InChIKey |
IVZGBQZFYJWPRW-YFHOEESVSA-N |
| Molecular Weight |
245.201 g/mol |
| SMILES |
C(C1=CC(\C=C\([N+](=O)[O-])CC)=CC=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948968 |
