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3(2H)-Isoquinolinone, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-nitro-
SpectraBase Compound ID 2z8pYkt0iAj
InChI InChI=1S/C20H20N2O7/c1-26-15-6-5-11(8-16(15)27-2)7-14-12-9-17(28-3)18(29-4)10-13(12)19(22(24)25)20(23)21-14/h5-6,8-10,19H,7H2,1-4H3
InChIKey ZPESOXQUJXAPND-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 IHrdCqKFNUe
Name 3(2H)-Isoquinolinone, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-nitro-
CAS Registry Number 68244-09-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O7
InChI InChI=1S/C20H20N2O7/c1-26-15-6-5-11(8-16(15)27-2)7-14-12-9-17(28-3)18(29-4)10-13(12)19(22(24)25)20(23)21-14/h5-6,8-10,19H,7H2,1-4H3
InChIKey ZPESOXQUJXAPND-UHFFFAOYSA-N
Molecular Weight 400.387 g/mol
SMILES C1(C(N=C(c2c1cc(c(OC)c2)OC)Cc1cc(OC)c(cc1)OC)=O)N(=O)=O
SPLASH splash10-066r-0009000000-b6640ee27c91382fa583
Source of Spectrum Y-19-1471-0
Synonyms 1-(3',4'-Dimethoxybenzyl)-6,7-dimethoxy-4-nitroisoquinolin-3-one 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-nitro-3(4H)-isoquinolinone
Wiley ID 1369300