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4-Isoquinolineacetic acid, 3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-4-hydroxy-6,7-dimethoxy-, ethyl ester, cis-(.+-.)-
SpectraBase Compound ID FM6OlYO3KhT
InChI InChI=1S/C23H29NO7/c1-6-31-21(25)12-23(26)16-11-20(30-5)19(29-4)10-15(16)13-24-22(23)14-7-8-17(27-2)18(9-14)28-3/h7-11,22,24,26H,6,12-13H2,1-5H3
InChIKey IRBXDFYPXDPFEY-UHFFFAOYSA-N
Mol Weight 431.49 g/mol
Molecular Formula C23H29NO7
Exact Mass 431.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnTQYpLeT0Z
Name 4-Isoquinolineacetic acid, 3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-4-hydroxy-6,7-dimethoxy-, ethyl ester, cis-(.+-.)-
Alternate Name(s) 4-Ethoxycarbonylmethyl-6,7-dimethoxy-3-(3,4-dimethoxy-phenyl)-1,2,3,4-tetrahydroiaoquinolin-4-ol Ethyl[3-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydro-4-isoquinolinyl]acetate
CAS Registry Number 131769-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO7
InChI InChI=1S/C23H29NO7/c1-6-31-21(25)12-23(26)16-11-20(30-5)19(29-4)10-15(16)13-24-22(23)14-7-8-17(27-2)18(9-14)28-3/h7-11,22,24,26H,6,12-13H2,1-5H3
InChIKey IRBXDFYPXDPFEY-UHFFFAOYSA-N
Molecular Weight 431.485 g/mol
SMILES N1Cc2c(C(C1c1cc(OC)c(cc1)OC)(CC(=O)OCC)O)cc(c(c2)OC)OC
SPLASH splash10-014i-0902000000-81716d49fd4ba7b1ee3e
Source of Spectrum KC-1990-2659-3
Wiley ID 1381966