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2-Allyl-6,7-dimethoxy-3-(6-vinylbenzo[1,3]dioxol-5-yl)-2H-isoquinolin-1-one
SpectraBase Compound ID KLhXP68nTBC
InChI InChI=1S/C23H21NO5/c1-5-7-24-18(16-11-22-21(28-13-29-22)9-14(16)6-2)8-15-10-19(26-3)20(27-4)12-17(15)23(24)25/h5-6,8-12H,1-2,7,13H2,3-4H3
InChIKey SRRBBWGZRSWJSD-UHFFFAOYSA-N
Mol Weight 391.42 g/mol
Molecular Formula C23H21NO5
Exact Mass 391.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3vHfjbV5sR
Name 2-Allyl-6,7-dimethoxy-3-(6-vinylbenzo[1,3]dioxol-5-yl)-2H-isoquinolin-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C23H21NO5
InChI InChI=1S/C23H21NO5/c1-5-7-24-18(16-11-22-21(28-13-29-22)9-14(16)6-2)8-15-10-19(26-3)20(27-4)12-17(15)23(24)25/h5-6,8-12H,1-2,7,13H2,3-4H3
InChIKey SRRBBWGZRSWJSD-UHFFFAOYSA-N
Molecular Weight 391.423 g/mol
SMILES C=1(N(C(=O)c2c(C1)cc(c(OC)c2)OC)CC=C)c1c(cc2c(c1)OCO2)C=C
SPLASH splash10-0006-0009000000-5ff0a5be4d1e45756735
Source of Spectrum E1-59-1173-4b
Synonyms 3-(6-ethenyl-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-prop-2-enyl-1-isoquinolinone 3-(6-ethenyl-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-prop-2-enylisoquinolin-1-one 2-allyl-6,7-dimethoxy-3-(6-vinyl-1,3-benzodioxol-5-yl)isoquinolin-1-one 3-(6-ethenyl-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-prop-2-enyl-isoquinolin-1-one
Wiley ID 1705424