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1(2H)-Isoquinolinone, 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-
SpectraBase Compound ID 9sXoYSGHMjk
InChI InChI=1S/C23H25NO7/c1-24-16(8-13-6-7-17(26-2)22(29-5)21(13)23(24)25)15-11-19-18(30-12-31-19)9-14(15)10-20(27-3)28-4/h6-9,11,20H,10,12H2,1-5H3
InChIKey NLVXWFWYGBCELA-UHFFFAOYSA-N
Mol Weight 427.45 g/mol
Molecular Formula C23H25NO7
Exact Mass 427.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYTH7283EtX
Name 1(2H)-Isoquinolinone, 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-
CAS Registry Number 93412-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO7
InChI InChI=1S/C23H25NO7/c1-24-16(8-13-6-7-17(26-2)22(29-5)21(13)23(24)25)15-11-19-18(30-12-31-19)9-14(15)10-20(27-3)28-4/h6-9,11,20H,10,12H2,1-5H3
InChIKey NLVXWFWYGBCELA-UHFFFAOYSA-N
Molecular Weight 427.453 g/mol
SMILES C1(N(C(c2c(cc3c(c2)OCO3)CC(OC)OC)=Cc2c1c(c(cc2)OC)OC)C)=O
SPLASH splash10-004i-9001300000-27c796cadda4c82b9370
Source of Spectrum KC-1986-2255-5
Synonyms 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-1(2H)-isoquinolinone 7,8-Dimethoxy-3-[2-(2,2-dimethoxyethyl)4,5-methylenedioxyphenyl]-2-methylisoquinolin-1(2H)-one
Wiley ID 1380396