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3,7,10-Trimethyl-8-chloro-2,4(3H,10H)-benzo[G]pteridindione
SpectraBase Compound ID GU7ygfLYxEE
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
Mol Weight 290.71 g/mol
Molecular Formula C13H11ClN4O2
Exact Mass 290.057053 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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