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3(2H)-Isoquinolinone, 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-
SpectraBase Compound ID 2qeBjaHHAvT
InChI InChI=1S/C20H20N2O7/c1-26-16-6-11-8-20(23)21-14(13(11)9-18(16)28-3)5-12-7-17(27-2)19(29-4)10-15(12)22(24)25/h6-7,9-10H,5,8H2,1-4H3
InChIKey HQEFWQHWVDIJGL-UHFFFAOYSA-N
Mol Weight 400.39 g/mol
Molecular Formula C20H20N2O7
Exact Mass 400.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYkZmzH0QAW
Name 3(2H)-Isoquinolinone, 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-
CAS Registry Number 85330-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O7
InChI InChI=1S/C20H20N2O7/c1-26-16-6-11-8-20(23)21-14(13(11)9-18(16)28-3)5-12-7-17(27-2)19(29-4)10-15(12)22(24)25/h6-7,9-10H,5,8H2,1-4H3
InChIKey HQEFWQHWVDIJGL-UHFFFAOYSA-N
Molecular Weight 400.387 g/mol
SMILES C1(=NC(=O)Cc2c1cc(c(OC)c2)OC)Cc1c(N(=O)=O)cc(c(c1)OC)OC
SPLASH splash10-0zfr-0009000000-3e4dfb13f6415dfa42aa
Source of Spectrum Y-19-1321-0
Synonyms 1-(3',4'-Dimethoxy-6'-nitrobenzyl)-6,7-dimethoxyisoquinolin-3-one 1-(4,5-dimethoxy-2-nitrobenzyl)-6,7-dimethoxy-3(4H)-isoquinolinone
Wiley ID 1369299