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1(2H)-Isoquinolinone, 3-(6-ethenyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-
SpectraBase Compound ID EXhIaXDl1Ef
InChI InChI=1S/C20H17NO5/c1-4-11-8-16-17(26-10-25-16)9-13(11)14-7-12-5-6-15(23-2)19(24-3)18(12)20(22)21-14/h4-9H,1,10H2,2-3H3,(H,21,22)
InChIKey NVGZNTRLYBYJRF-UHFFFAOYSA-N
Mol Weight 351.36 g/mol
Molecular Formula C20H17NO5
Exact Mass 351.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIEh5oIItQ1
Name 1(2H)-Isoquinolinone, 3-(6-ethenyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-
CAS Registry Number 127819-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO5
InChI InChI=1S/C20H17NO5/c1-4-11-8-16-17(26-10-25-16)9-13(11)14-7-12-5-6-15(23-2)19(24-3)18(12)20(22)21-14/h4-9H,1,10H2,2-3H3,(H,21,22)
InChIKey NVGZNTRLYBYJRF-UHFFFAOYSA-N
Molecular Weight 351.358 g/mol
SMILES N1C(c2c(C=C1c1c(cc3c(c1)OCO3)C=C)ccc(c2OC)OC)=O
SPLASH splash10-0gy9-4219000000-8a60df5a16a1c7c075a6
Source of Spectrum J-55-5123-28
Synonyms 7,8-Dimethoxy-3-(6-vinyl-1,3-benzodioxol-5-yl)-1(2H)-isoquinolinone 7,8-Dimethoxy-3-[4,5-(methylenedioxy)-2-vinylphenyl]-1-(2H)-isoquinolinone 7,8-Dimethoxy-3-(6-vinyl-1,3-benzodioxol-5-yl)-2H-isoquinolin-1-one 3-(6-Ethenyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2H-isoquinolin-1-one
Wiley ID 1342641