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3-ETHOXYCARBONYL-2-ETHOXYCARBONYLMETHYL-ISOQUINOLINIUM-BROMIDE
SpectraBase Compound ID EpUeQFPAdFz
InChI InChI=1S/C16H18NO4.BrH/c1-3-20-15(18)11-17-10-13-8-6-5-7-12(13)9-14(17)16(19)21-4-2;/h5-10H,3-4,11H2,1-2H3;1H/q+1;/p-1
InChIKey BVTHZDBTMJRTST-UHFFFAOYSA-M
Mol Weight 368.23 g/mol
Molecular Formula C16H18BrNO4
Exact Mass 367.041921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbExHxz7LPd
Name 3-ETHOXYCARBONYL-2-ETHOXYCARBONYLMETHYL-ISOQUINOLINIUM-BROMIDE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18BrNO4
InChI InChI=1S/C16H18NO4.BrH/c1-3-20-15(18)11-17-10-13-8-6-5-7-12(13)9-14(17)16(19)21-4-2;/h5-10H,3-4,11H2,1-2H3;1H/q+1;/p-1
InChIKey BVTHZDBTMJRTST-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 368.227 g/mol
Solvent CDCl3
Source File Reference UWLU7692