John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=E7B5S2RdcgU SpectraBase Spectrum ID=2W7G2mcv818

(accessed ).
RAC-ETHYL-5-[1'-[4''-(DIMETHYLAMINO)-PHENYL-3'-(4'''-NITROPHENYL)-3'-OXO-PROPYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
SpectraBase Compound ID E7B5S2RdcgU
InChI InChI=1S/C26H29N3O5/c1-6-34-26(31)24-16(2)25(27-17(24)3)22(18-7-11-20(12-8-18)28(4)5)15-23(30)19-9-13-21(14-10-19)29(32)33/h7-14,22,27H,6,15H2,1-5H3/t22-/m1/s1
InChIKey OKHJZUAPSRFXNB-JOCHJYFZSA-N
Mol Weight 463.53 g/mol
Molecular Formula C26H29N3O5
Exact Mass 463.210721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2W7G2mcv818
Name RAC-ETHYL-5-[1'-[4''-(DIMETHYLAMINO)-PHENYL-3'-(4'''-NITROPHENYL)-3'-OXO-PROPYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
Compound Number 16G
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H29N3O5
InChI InChI=1S/C26H29N3O5/c1-6-34-26(31)24-16(2)25(27-17(24)3)22(18-7-11-20(12-8-18)28(4)5)15-23(30)19-9-13-21(14-10-19)29(32)33/h7-14,22,27H,6,15H2,1-5H3/t22-/m1/s1
InChIKey OKHJZUAPSRFXNB-JOCHJYFZSA-N
Literature Reference Author R.LUEOEND,R.NEIER
Literature Reference Citation HELV.CHIM.ACTA,74,91(1991)
Molecular Weight 463.533 g/mol
Solvent CDCl3
Source File Reference UWVP5573
SpectraBase Batch ID 6W4Zpz2oou2