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#4B;(2R*,3S*)-2-(4-CHLOROBENZOYL)-3-MORPHOLINO-2-PHENYLOXETANE-3-CARBONITRILE;#6B;(2R*,3S*)-2-BENZOYL-2-(4-CHLOROPHENYL)-3-MORPHOLINOOXETANE-3-CARBONITRILE

View entire compound with spectra: 1 NMR

#4B;(2R*,3S*)-2-(4-CHLOROBENZOYL)-3-MORPHOLINO-2-PHENYLOXETANE-3-CARBONITRILE;#6B;(2R*,3S*)-2-BENZOYL-2-(4-CHLOROPHENYL)-3-MORPHOLINOOXETANE-3-CARBONITRILE
SpectraBase Compound ID 11BeJLiJ9MU
InChI InChI=1S/2C21H19ClN2O3/c22-18-8-6-16(7-9-18)19(25)21(17-4-2-1-3-5-17)20(14-23,15-27-21)24-10-12-26-13-11-24;22-18-8-6-17(7-9-18)21(19(25)16-4-2-1-3-5-16)20(14-23,15-27-21)24-10-12-26-13-11-24/h2*1-9H,10-13,15H2/t2*20-,21+/m00/s1
InChIKey YLZXXEPSXVUJRD-LNTGIPEPSA-N
Mol Weight 765.69 g/mol
Molecular Formula C42H38Cl2N4O6
Exact Mass 764.21684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDQWv83idVl
Name #4B;(2R*,3S*)-2-(4-CHLOROBENZOYL)-3-MORPHOLINO-2-PHENYLOXETANE-3-CARBONITRILE;#6B;(2R*,3S*)-2-BENZOYL-2-(4-CHLOROPHENYL)-3-MORPHOLINOOXETANE-3-CARBONITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H38Cl2N4O6
InChI InChI=1S/2C21H19ClN2O3/c22-18-8-6-16(7-9-18)19(25)21(17-4-2-1-3-5-17)20(14-23,15-27-21)24-10-12-26-13-11-24;22-18-8-6-17(7-9-18)21(19(25)16-4-2-1-3-5-16)20(14-23,15-27-21)24-10-12-26-13-11-24/h2*1-9H,10-13,15H2/t2*20-,21+/m00/s1
InChIKey YLZXXEPSXVUJRD-LNTGIPEPSA-N
Literature Reference Author H.R.MEMARIAN,M.DEHGHANI,G.HENKEL,D.DOEPP
Literature Reference Citation MH.CHEM.,135,425(2004)
Literature Reference DOI 10.1007/s00706-003-0115-0
Molecular Weight 765.693 g/mol
Solvent CDCl3
Source File Reference UWMZ3860