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3-ETHOXYCARBONYL-2-ETHOXYCARBONYLMETHYL-6,7-DIMETHOXY-ISOQUINOLINIUM-BROMIDE
SpectraBase Compound ID 8X4LchBsl1g
InChI InChI=1S/C18H22NO6.BrH/c1-5-24-17(20)11-19-10-13-9-16(23-4)15(22-3)8-12(13)7-14(19)18(21)25-6-2;/h7-10H,5-6,11H2,1-4H3;1H/q+1;/p-1
InChIKey QJIABRZNWXKSMG-UHFFFAOYSA-M
Mol Weight 428.28 g/mol
Molecular Formula C18H22BrNO6
Exact Mass 427.06305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KAppG5vrNXL
Name 3-ETHOXYCARBONYL-2-ETHOXYCARBONYLMETHYL-6,7-DIMETHOXY-ISOQUINOLINIUM-BROMIDE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22BrNO6
InChI InChI=1S/C18H22NO6.BrH/c1-5-24-17(20)11-19-10-13-9-16(23-4)15(22-3)8-12(13)7-14(19)18(21)25-6-2;/h7-10H,5-6,11H2,1-4H3;1H/q+1;/p-1
InChIKey QJIABRZNWXKSMG-UHFFFAOYSA-M
Literature Reference Author M.AMEZIANE,A.A.MEZIANE,J.P.BAZUREAU
Literature Reference Citation MOLECULES,7,252(2002)
Literature Reference DOI 10.3390/70200252
Molecular Weight 428.280 g/mol
Solvent CDCl3
Source File Reference UWLU7691