6,7-Methylenedioxy-2-methyl-3-phytyl-4[1H]-quinolone

SpectraBase Compound ID	w2GXjkvFV0
InChI	InChI=1S/C31H47NO3/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-26-25(6)32-28-19-30-29(34-20-35-30)18-27(28)31(26)33/h16,18-19,21-23H,7-15,17,20H2,1-6H3,(H,32,33)/b24-16+
InChIKey	QICWWCPSSJZRPJ-LFVJCYFKSA-N Google Search
Mol Weight	481.7 g/mol
Molecular Formula	C31H47NO3
Exact Mass	481.355594 g/mol

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SpectraBase Spectrum ID	IejJA0i8EsD
Name	6,7-Methylenedioxy-2-methyl-3-phytyl-4[1H]-quinolone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	481.355594374 u
Formula	C31H47NO3
InChI	InChI=1S/C31H47NO3/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-26-25(6)32-28-19-30-29(34-20-35-30)18-27(28)31(26)33/h16,18-19,21-23H,7-15,17,20H2,1-6H3,(H,32,33)/b24-16+
InChIKey	QICWWCPSSJZRPJ-LFVJCYFKSA-N
Molecular Weight	481.721 g/mol
SMILES	C1=C2C(=CC3=C1C(C(=C(N3)C)C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)=O)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.968416