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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
Mol Weight 443.5 g/mol
Molecular Formula C27H25NO5
Exact Mass 443.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Xp9ThjoFUu
Name 1(2H)-Isoquinolinone, 3-[2-ethenyl-5-methoxy-4-(phenylmethoxy)phenyl]-6,7-dimethoxy-
CAS Registry Number 127819-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N1C(c2c(C=C1c1c(cc(c(c1)OC)OCc1ccccc1)C=C)cc(c(c2)OC)OC)=O
SPLASH splash10-0006-8009700000-f173737eedc0e65b177d
Source of Spectrum J-55-5123-30
Synonyms 3-[4-(benzyloxy)-5-methoxy-2-vinylphenyl]-6,7-dimethoxy-1(2H)-isoquinolinone
Wiley ID 1385770