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2-Allyl-6,7-dimethoxy-3-(6-methoxymethoxymethylbenzo[1,3]dioxol-5-yl)-2H-isoquinolin-1-one
SpectraBase Compound ID BTwhfJvsYNk
InChI InChI=1S/C24H25NO7/c1-5-6-25-19(7-15-8-20(28-3)21(29-4)11-18(15)24(25)26)17-10-23-22(31-14-32-23)9-16(17)12-30-13-27-2/h5,7-11H,1,6,12-14H2,2-4H3
InChIKey AXAHQYIVZPWOMB-UHFFFAOYSA-N
Mol Weight 439.46 g/mol
Molecular Formula C24H25NO7
Exact Mass 439.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uVBGLElx8B
Name 2-Allyl-6,7-dimethoxy-3-(6-methoxymethoxymethylbenzo[1,3]dioxol-5-yl)-2H-isoquinolin-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO7
InChI InChI=1S/C24H25NO7/c1-5-6-25-19(7-15-8-20(28-3)21(29-4)11-18(15)24(25)26)17-10-23-22(31-14-32-23)9-16(17)12-30-13-27-2/h5,7-11H,1,6,12-14H2,2-4H3
InChIKey AXAHQYIVZPWOMB-UHFFFAOYSA-N
Molecular Weight 439.464 g/mol
SMILES C=1(N(C(=O)c2c(C1)cc(c(OC)c2)OC)CC=C)c1cc2OCOc2cc1COCOC
SPLASH splash10-000i-0000900000-e8627821cc8063ff46fd
Source of Spectrum E1-59-1172-9b
Synonyms 6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2-prop-2-enyl-1-isoquinolinone 6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2-prop-2-enylisoquinolin-1-one 2-allyl-6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]isoquinolin-1-one 6,7-dimethoxy-3-[6-(methoxymethoxymethyl)-1,3-benzodioxol-5-yl]-2-prop-2-enyl-isoquinolin-1-one
Wiley ID 1705429