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1-[2-(CARBOXYETHYL)]-6,7-DIMETHOXY-2-PROPYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID B33VGOYVlYP
InChI InChI=1S/C17H25NO4.ClH/c1-4-8-18-9-7-12-10-15(21-2)16(22-3)11-13(12)14(18)5-6-17(19)20;/h10-11,14H,4-9H2,1-3H3,(H,19,20);1H
InChIKey MTSFJLXAZJVUFU-UHFFFAOYSA-N
Mol Weight 343.85 g/mol
Molecular Formula C17H26ClNO4
Exact Mass 343.155036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2Iygfdjiw7
Name 1-[2-(CARBOXYETHYL)]-6,7-DIMETHOXY-2-PROPYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINIUM-CHLORIDE
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26ClNO4
InChI InChI=1S/C17H25NO4.ClH/c1-4-8-18-9-7-12-10-15(21-2)16(22-3)11-13(12)14(18)5-6-17(19)20;/h10-11,14H,4-9H2,1-3H3,(H,19,20);1H
InChIKey MTSFJLXAZJVUFU-UHFFFAOYSA-N
Literature Reference Author J.B.BREMNER,B.COBAN,R.GRIFFITH,K.M.GROENEWOUD,B.F.YATES
Literature Reference Citation BIOORG.MED.CHEM.,8,201(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00263-1
Molecular Weight 343.851 g/mol
Solvent CDCl3
Source File Reference UWVN20087