SpectraBase Spectrum ID |
2Haffz8MAuc |
Name |
3,7,10-Trimethyl-8-chloro-2,4(3H,10H)-benzo[G]pteridindione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.057053308 u |
Formula |
C13H11ClN4O2 |
InChI |
InChI=1S/C13H11ClN4O2/c1-6-4-8-9(5-7(6)14)17(2)11-10(15-8)12(19)18(3)13(20)16-11/h4-5H,1-3H3 |
InChIKey |
IWRRDKABNZUMPJ-UHFFFAOYSA-N |
Molecular Weight |
290.710 g/mol |
SMILES |
C12=CC(C)=C(C=C2N(C=2C(=N1)C(N(C(N2)=O)C)=O)C)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898742 |