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8-TRICHLOROMETHYL-7,8-DIHYDROCOPTISINE
SpectraBase Compound ID 5wQVVaru1Sy
InChI InChI=1S/C20H14Cl3NO4/c21-20(22,23)19-17-11(1-2-14-18(17)28-9-25-14)5-13-12-7-16-15(26-8-27-16)6-10(12)3-4-24(13)19/h1-2,5-7,19H,3-4,8-9H2
InChIKey QMAOQDHPDRTWJJ-UHFFFAOYSA-N
Mol Weight 438.69 g/mol
Molecular Formula C20H14Cl3NO4
Exact Mass 436.998841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jo6vmrhOuK
Name 8-TRICHLOROMETHYL-7,8-DIHYDROCOPTISINE
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14Cl3NO4
InChI InChI=1S/C20H14Cl3NO4/c21-20(22,23)19-17-11(1-2-14-18(17)28-9-25-14)5-13-12-7-16-15(26-8-27-16)6-10(12)3-4-24(13)19/h1-2,5-7,19H,3-4,8-9H2
InChIKey QMAOQDHPDRTWJJ-UHFFFAOYSA-N
Literature Reference Author L.GRYCOVA,D.HULOVA,L.MAIER,S.STANDARA,M.NECAS,F.LEMIERE,R.KA RES,J.DOSTAL,R.MAREK
Literature Reference Citation MAGN.RES.CHEM.,46,1127(2008)
Literature Reference DOI 10.1002/mrc.2325
Molecular Weight 438.694 g/mol
Solvent CD2Cl2
Source File Reference UWBT16366