10-[3'-(2'',5''-Dimethoxyphenyl)propyl]-7,8-dimethylisoalloxazine

SpectraBase Compound ID	9abtAz7fkKr
InChI	InChI=1S/C23H24N4O4/c1-13-10-17-18(11-14(13)2)27(21-20(24-17)22(28)26-23(29)25-21)9-5-6-15-12-16(30-3)7-8-19(15)31-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,26,28,29)
InChIKey	FWDYMVWQQBBSDN-UHFFFAOYSA-N Google Search
Mol Weight	420.47 g/mol
Molecular Formula	C23H24N4O4
Exact Mass	420.179755 g/mol

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SpectraBase Spectrum ID	AlS1odRQlRm
Name	10-[3'-(2'',5''-Dimethoxyphenyl)propyl]-7,8-dimethylisoalloxazine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	420.179755265 u
Formula	C23H24N4O4
InChI	InChI=1S/C23H24N4O4/c1-13-10-17-18(11-14(13)2)27(21-20(24-17)22(28)26-23(29)25-21)9-5-6-15-12-16(30-3)7-8-19(15)31-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,26,28,29)
InChIKey	FWDYMVWQQBBSDN-UHFFFAOYSA-N
Molecular Weight	420.469 g/mol
SMILES	C=12C(=NC3=C(N2CCCC=2C(=CC=C(C2)OC)OC)C=C(C(C)=C3)C)C(=O)NC(N1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.844122