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1(2H)-Isoquinolinone, 3-[6-(2-hydroxyethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-
SpectraBase Compound ID H8ntnZsf8mh
InChI InChI=1S/C21H21NO6/c1-22-15(14-10-18-17(27-11-28-18)9-12(14)6-7-23)8-13-4-5-16(25-2)20(26-3)19(13)21(22)24/h4-5,8-10,23H,6-7,11H2,1-3H3
InChIKey BZYGQURQMGTULL-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C21H21NO6
Exact Mass 383.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46HWEJLq7xU
Name 1(2H)-Isoquinolinone, 3-[6-(2-hydroxyethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-
CAS Registry Number 93412-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO6
InChI InChI=1S/C21H21NO6/c1-22-15(14-10-18-17(27-11-28-18)9-12(14)6-7-23)8-13-4-5-16(25-2)20(26-3)19(13)21(22)24/h4-5,8-10,23H,6-7,11H2,1-3H3
InChIKey BZYGQURQMGTULL-UHFFFAOYSA-N
Molecular Weight 383.400 g/mol
SMILES OCCc1c(C=2N(C(c3c(C2)ccc(c3OC)OC)=O)C)cc2OCOc2c1
SPLASH splash10-001i-0009000000-b85a2ab43a69a3e2b069
Source of Spectrum QB-27-2095-9
Synonyms 7,8-Dimethoxy-3-[6-(2-hydroxyethyl)benzo[13]dioxol-5-yl]-2-methyl-2H-isoquinolin-1-one 3-[2-(2-hydroxyethyl)-4,5-methylenedioxyphenyl]-7,8-dimethoxy-2-methylisoquinoli1(2H)-one 3-[6-(2-hydroxyethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-1(2H)-isoquinolinone
Wiley ID 1584664