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4-Isoquinolineacetic acid, 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-, ethyl ester
SpectraBase Compound ID GST5mz1oUUD
InChI InChI=1S/C23H25NO6/c1-6-30-22(25)12-17-16-11-21(29-5)20(28-4)10-15(16)13-24-23(17)14-7-8-18(26-2)19(9-14)27-3/h7-11,13H,6,12H2,1-5H3
InChIKey IFYQTOAOFTUCFK-UHFFFAOYSA-N
Mol Weight 411.45 g/mol
Molecular Formula C23H25NO6
Exact Mass 411.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJVPUZDQ9Sg
Name 4-Isoquinolineacetic acid, 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-, ethyl ester
Alternate Name(s) 3-(3,4-Dimethoxyphenyl)-4-ethoxycarbonylmethyl-6,7-di-methoxyisoquinoline Ethyl[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-isoquinolinyl]acetate
CAS Registry Number 131796-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO6
InChI InChI=1S/C23H25NO6/c1-6-30-22(25)12-17-16-11-21(29-5)20(28-4)10-15(16)13-24-23(17)14-7-8-18(26-2)19(9-14)27-3/h7-11,13H,6,12H2,1-5H3
InChIKey IFYQTOAOFTUCFK-UHFFFAOYSA-N
Molecular Weight 411.454 g/mol
SMILES c1(c(ncc2c1cc(OC)c(c2)OC)-c1cc(OC)c(cc1)OC)CC(=O)OCC
SPLASH splash10-03di-0004900000-4baf2edb6de9dfea21f8
Source of Spectrum KC-1990-2660-7
Wiley ID 1374114