| SpectraBase Spectrum ID |
8pJCr6o2Jt4 |
| Name |
6,13-Dichloro-3,10-difluorotriphenodioxazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.977439165 u |
| Formula |
C18H6Cl2F2N2O2 |
| InChI |
InChI=1S/C18H6Cl2F2N2O2/c19-13-15-17(25-11-5-7(21)1-3-9(11)23-15)14(20)16-18(13)26-12-6-8(22)2-4-10(12)24-16/h1-6H |
| InChIKey |
AMBSRVFFZDMBMY-UHFFFAOYSA-N |
| Molecular Weight |
391.161 g/mol |
| SMILES |
C1=C(F)C=CC2=C1OC1=C(Cl)C3=NC=4C=CC(F)=CC4OC3=C(C1=N2)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.715892 |
