| SpectraBase Spectrum ID |
IdNkZeqNUej |
| Name |
Heptafluorophenoxazone-3 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.981725383 u |
| Formula |
C12F7NO2 |
| InChI |
InChI=1S/C12F7NO2/c13-1-2(14)6(18)11-8(3(1)15)20-9-4(16)5(17)10(21)7(19)12(9)22-11 |
| InChIKey |
DUAXYIMYMAOOJD-UHFFFAOYSA-N |
| Molecular Weight |
323.126 g/mol |
| SMILES |
C1(=C(C(=C2C(=C1F)N=C1C(O2)=C(C(C(=C1F)F)=O)F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938184 |
