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METHYL-trans-3-(1-[N-BENZYL-N-(CHLOROACETYL)-AMINOMETHYL]-1-(E)-PROPENYL)-9-METHYL-1,2,3,4-TETRAHYDRO-CARBAZOLE-4-CARBOXYLATE;MAJOR-ISOMER

View entire compound with spectra: 1 NMR

METHYL-trans-3-(1-[N-BENZYL-N-(CHLOROACETYL)-AMINOMETHYL]-1-(E)-PROPENYL)-9-METHYL-1,2,3,4-TETRAHYDRO-CARBAZOLE-4-CARBOXYLATE;MAJOR-ISOMER
SpectraBase Compound ID kweqFrv2P9
InChI InChI=1S/C28H31ClN2O3/c1-4-20(18-31(25(32)16-29)17-19-10-6-5-7-11-19)21-14-15-24-26(27(21)28(33)34-3)22-12-8-9-13-23(22)30(24)2/h4-13,21,27H,14-18H2,1-3H3/b20-4+/t21-,27-/m1/s1
InChIKey GQCOHNYESBXYGE-LYZGAURHSA-N
Mol Weight 479.02 g/mol
Molecular Formula C28H31ClN2O3
Exact Mass 478.202321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8odfQqP4q7c
Name METHYL-trans-3-(1-[N-BENZYL-N-(CHLOROACETYL)-AMINOMETHYL]-1-(E)-PROPENYL)-9-METHYL-1,2,3,4-TETRAHYDRO-CARBAZOLE-4-CARBOXYLATE;MAJOR-ISOMER
Compound Number 3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H31ClN2O3/c1-4-20(18-31(25(32)16-29)17-19-10-6-5-7-11-19)21-14-15-24-26(27(21)28(33)34-3)22-12-8-9-13-23(22)30(24)2/h4-13,21,27H,14-18H2,1-3H3/b20-4+/t21-,27-/m1/s1
InChIKey GQCOHNYESBXYGE-LYZGAURHSA-N
Literature Reference M.L.BENNASAR,E.ZULAICA,A.RAMIREZ,J.BOSCH HETEROCYCLES,43,1959(1996)
Solvent Chloroform-d
Technique SELECTIVE DECOUPLING; C/H SHIFT CORRELATION