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(1RS,3SR,3ARS,6RS,13SR)-2,3,3A,6-TETRAHYDRO-2-BENZYL-6-(1-HYDROXY-PARA-CHLOROPHENYMETHYL)-1,3-DIPHENYLBENZO-[C]-[1,2]-AZAPHOSPHOLE-1-OXIDE
SpectraBase Compound ID EU9rkroiEWC
InChI InChI=1S/C33H29ClNO2P/c34-28-19-16-26(17-20-28)33(36)27-18-21-30-31(22-27)38(37,29-14-8-3-9-15-29)35(23-24-10-4-1-5-11-24)32(30)25-12-6-2-7-13-25/h1-22,27,30,32-33,36H,23H2/t27-,30+,32-,33-,38-/m1/s1
InChIKey UMBHMCHULFLMEB-ANBWWSSGSA-N
Mol Weight 538.0 g/mol
Molecular Formula C33H29ClNO2P
Exact Mass 537.162444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F73jdZRdT1J
Name (1RS,3SR,3ARS,6RS,13SR)-2,3,3A,6-TETRAHYDRO-2-BENZYL-6-(1-HYDROXY-PARA-CHLOROPHENYMETHYL)-1,3-DIPHENYLBENZO-[C]-[1,2]-AZAPHOSPHOLE-1-OXIDE
Compound Number 4MA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H29ClNO2P
InChI InChI=1S/C33H29ClNO2P/c34-28-19-16-26(17-20-28)33(36)27-18-21-30-31(22-27)38(37,29-14-8-3-9-15-29)35(23-24-10-4-1-5-11-24)32(30)25-12-6-2-7-13-25/h1-22,27,30,32-33,36H,23H2/t27-,30+,32-,33-,38-/m1/s1
InChIKey UMBHMCHULFLMEB-ANBWWSSGSA-N
Literature Reference Author I.FERNANDEZ,A.FOECEN-ACEBAL,S.GARCIA-GRANDA,F.LOPEZ-ORTIZ
Literature Reference Citation J.ORG.CHEM.,68,4472(2003)
Literature Reference DOI 10.1021/jo0342370
Molecular Weight 538.026 g/mol
Solvent Unknown
Source File Reference UWLU23743