| SpectraBase Spectrum ID |
l2uZnv1DmL |
| Name |
6,13-Dibromo-1,8-difluorotriphenodioxazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.876409765 u |
| Formula |
C18H6Br2F2N2O2 |
| InChI |
InChI=1S/C18H6Br2F2N2O2/c19-11-16-18(26-10-6-2-4-8(22)14(10)24-16)12(20)15-17(11)25-9-5-1-3-7(21)13(9)23-15/h1-6H |
| InChIKey |
KGCXSKQJUKTPBW-UHFFFAOYSA-N |
| Molecular Weight |
480.063 g/mol |
| SMILES |
C=1C=CC2=C(C1F)N=C1C(O2)=C(Br)C=2C(=C1Br)OC1=C(N2)C(F)=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.781224 |
