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1-[(4ARS,8SR,8ASR)-4-BENZYL-8-(PYRROLIDIN-1-YL)-PERHYDRO-QUINOXALIN-1-YL]-2-(3,4-DICHLOROPHENYL)-ETHAN-1-ONE
SpectraBase Compound ID JULXu1zje8t
InChI InChI=1S/C27H33Cl2N3O/c28-22-12-11-21(17-23(22)29)18-26(33)32-16-15-31(19-20-7-2-1-3-8-20)25-10-6-9-24(27(25)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,24-25,27H,4-6,9-10,13-16,18-19H2/t24-,25+,27-/m1/s1
InChIKey JSWMYIDCXMVIHJ-CMTIAEDTSA-N
Mol Weight 486.5 g/mol
Molecular Formula C27H33Cl2N3O
Exact Mass 485.200068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zGLkY5S9eK
Name 1-[(4ARS,8SR,8ASR)-4-BENZYL-8-(PYRROLIDIN-1-YL)-PERHYDRO-QUINOXALIN-1-YL]-2-(3,4-DICHLOROPHENYL)-ETHAN-1-ONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33Cl2N3O
InChI InChI=1S/C27H33Cl2N3O/c28-22-12-11-21(17-23(22)29)18-26(33)32-16-15-31(19-20-7-2-1-3-8-20)25-10-6-9-24(27(25)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,24-25,27H,4-6,9-10,13-16,18-19H2/t24-,25+,27-/m1/s1
InChIKey JSWMYIDCXMVIHJ-CMTIAEDTSA-N
Literature Reference Author A.SCHULTE,S.SAITO,B.WUENSCH
Literature Reference Citation EUR.J.ORG.CHEM.,2014,5749(2014)
Literature Reference DOI 10.1002/ejoc.201402685
Molecular Weight 486.485 g/mol
Solvent CDCl3
Source File Reference UWIR19135