(+,-)-N-methyl-3-[2-ethenyl-4,5-(methylenedioxy)phenyl]-7,8-(methylenedioxy)-3,4-dihydro-1(2H)-isoquinolone

SpectraBase Compound ID	FUlucdREhGu
InChI	InChI=1S/C20H17NO5/c1-3-11-7-16-17(25-9-24-16)8-13(11)14-6-12-4-5-15-19(26-10-23-15)18(12)20(22)21(14)2/h3-5,7-8,14H,1,6,9-10H2,2H3
InChIKey	OGSMJOWWKIAQNS-UHFFFAOYSA-N Google Search
Mol Weight	351.36 g/mol
Molecular Formula	C20H17NO5
Exact Mass	351.110673 g/mol

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SpectraBase Spectrum ID	JcnrIcegF7f
Name	(+,-)-N-methyl-3-[2-ethenyl-4,5-(methylenedioxy)phenyl]-7,8-(methylenedioxy)-3,4-dihydro-1(2H)-isoquinolone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	351.110672646 u
Formula	C20H17NO5
InChI	InChI=1S/C20H17NO5/c1-3-11-7-16-17(25-9-24-16)8-13(11)14-6-12-4-5-15-19(26-10-23-15)18(12)20(22)21(14)2/h3-5,7-8,14H,1,6,9-10H2,2H3
InChIKey	OGSMJOWWKIAQNS-UHFFFAOYSA-N
Molecular Weight	351.358 g/mol
SMILES	C1(C2=C(C=CC3=C2OCO3)CC(N1C)C=1C(=CC2=C(C1)OCO2)C=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.876403