| SpectraBase Spectrum ID |
DXVqGCbvgUO |
| Name |
1,2,3,4,5-Pentafluoro-6-[(2-nitrophenoxy)methyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.026783869 u |
| Formula |
C13H6F5NO3 |
| InChI |
InChI=1S/C13H6F5NO3/c14-9-6(10(15)12(17)13(18)11(9)16)5-22-8-4-2-1-3-7(8)19(20)21/h1-4H,5H2 |
| InChIKey |
NBYFUYVYPSNKPJ-UHFFFAOYSA-N |
| Molecular Weight |
319.187 g/mol |
| SMILES |
C=1(C(=C(F)C(=C(C1F)F)F)F)COC=1C(N(=O)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812331 |
![1,2,3,4,5-Pentafluoro-6-[(2-nitrophenoxy)methyl]benzene](/api/spectrum/DXVqGCbvgUO/structure.png?h=300&w=458 "1,2,3,4,5-Pentafluoro-6-[(2-nitrophenoxy)methyl]benzene")
