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1H-Inden-1-one, 2-bromo-3-(6,7-dimethoxy-1-isoquinolinyl)-5,6-dimethoxy-
SpectraBase Compound ID EKzjCcWOYxn
InChI InChI=1S/C22H18BrNO5/c1-26-15-7-11-5-6-24-21(12(11)8-16(15)27-2)19-13-9-17(28-3)18(29-4)10-14(13)22(25)20(19)23/h5-10H,1-4H3
InChIKey MXMPHDJNVCCNDX-UHFFFAOYSA-N
Mol Weight 456.29 g/mol
Molecular Formula C22H18BrNO5
Exact Mass 455.036836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuAsfEZsQc9
Name 1H-Inden-1-one, 2-bromo-3-(6,7-dimethoxy-1-isoquinolinyl)-5,6-dimethoxy-
Alternate Name(s) 2-Bromo-3-(6,7-dimethoxy-1-isoquinolinyl)-5,6-dimethoxy-1H-inden-1-one 2-Bromanyl-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxy-inden-1-one 2-Bromo-3-(6,7-dimethoxy-1-isoquinolinyl)-5,6-dimethoxy-1-indenone 2-Bromo-3-(6,7-dimethoxy-1-isoquinolyl)-5,6-dimethoxy-inden-1-one 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one Indone, 2-bromo-3-(6,7-dimethoxy-1-isoquinolyl)-5,6-dimethoxy-
CAS Registry Number 23434-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18BrNO5
InChI InChI=1S/C22H18BrNO5/c1-26-15-7-11-5-6-24-21(12(11)8-16(15)27-2)19-13-9-17(28-3)18(29-4)10-14(13)22(25)20(19)23/h5-10H,1-4H3
InChIKey MXMPHDJNVCCNDX-UHFFFAOYSA-N
Molecular Weight 456.292 g/mol
SMILES COc1cc2ccnc(c2cc1OC)C=1c2cc(c(cc2C(C1Br)=O)OC)OC
SPLASH splash10-0a4i-0005900000-73716e18baaaf7a494a4
Source of Spectrum F-25-2901-1
Wiley ID 1389003