1(2H)-Isoquinolinone, 3-[2-ethenyl-5-methoxy-4-(phenylmethoxy)phenyl]-6,7-dimethoxy-

SpectraBase Compound ID	9TiSF5Y7dxG
InChI	InChI=1S/C27H25NO5/c1-5-18-12-26(33-16-17-9-7-6-8-10-17)25(32-4)14-20(18)22-11-19-13-23(30-2)24(31-3)15-21(19)27(29)28-22/h5-15H,1,16H2,2-4H3,(H,28,29)
InChIKey	KFYPVQKMWFATDJ-UHFFFAOYSA-N Google Search
Mol Weight	443.5 g/mol
Molecular Formula	C27H25NO5
Exact Mass	443.173273 g/mol

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SpectraBase Spectrum ID	6bCshX1kRO1
Name	1(2H)-Isoquinolinone, 3-[2-ethenyl-5-methoxy-4-(phenylmethoxy)phenyl]-6,7-dimethoxy-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	443.173272904 u
Formula	C27H25NO5
InChI	InChI=1S/C27H25NO5/c1-5-18-12-26(33-16-17-9-7-6-8-10-17)25(32-4)14-20(18)22-11-19-13-23(30-2)24(31-3)15-21(19)27(29)28-22/h5-15H,1,16H2,2-4H3,(H,28,29)
InChIKey	KFYPVQKMWFATDJ-UHFFFAOYSA-N
Molecular Weight	443.499 g/mol
SMILES	C=1(NC(=O)C2=C(C1)C=C(C(OC)=C2)OC)C=1C(=CC(=C(C1)OC)OCC=1C=CC=CC1)C=C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.935043