| SpectraBase Spectrum ID |
1yhwpOneqfg |
| Name |
3,6,10,13-Tetrachlorotriphenodioxazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.918338239 u |
| Formula |
C18H6Cl4N2O2 |
| InChI |
InChI=1S/C18H6Cl4N2O2/c19-7-1-3-9-11(5-7)25-17-14(22)16-18(13(21)15(17)23-9)26-12-6-8(20)2-4-10(12)24-16/h1-6H |
| InChIKey |
NAAPJUUMBKFVMO-UHFFFAOYSA-N |
| Molecular Weight |
424.070 g/mol |
| SMILES |
C1=C(Cl)C=CC2=C1OC1=C(Cl)C3=NC=4C=CC(Cl)=CC4OC3=C(C1=N2)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.860772 |
