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(6RS,7SR)-1-[[6-(METHYLAMINO)-BENZYL]-1,4-CYCLOHEXADIENYL]-PHENYLPHOSPHINIC-ACID
SpectraBase Compound ID 3hsRUthqgW9
InChI InChI=1S/2C20H22NO2P/c2*1-21-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)24(22,23)17-12-6-3-7-13-17/h2*2-8,10-15,18,20-21H,9H2,1H3,(H,22,23)/t2*18-,20+/m00/s1
InChIKey QLBIJBLWTXCVHP-KRLUAYHXSA-N
Mol Weight 678.75 g/mol
Molecular Formula C40H44N2O4P2
Exact Mass 678.277632 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gsw3ZoJR62W
Name (6RS,7SR)-1-[[6-(METHYLAMINO)-BENZYL]-1,4-CYCLOHEXADIENYL]-PHENYLPHOSPHINIC-ACID
Compound Number 22A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42N2O4P2
InChI InChI=1S/2C20H22NO2P/c2*1-21-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)24(22,23)17-12-6-3-7-13-17/h2*2-8,10-15,18,20-21H,9H2,1H3,(H,22,23)/t2*18-,20+/m00/s1
InChIKey QLBIJBLWTXCVHP-KRLUAYHXSA-N
Literature Reference Author I.FERNANDEZ,F.L.ORTIZ,A.M.VELAZQUEZ,S.G.GRANDA
Literature Reference Citation J.ORG.CHEM.,67,3852(2002)
Literature Reference DOI 10.1021/jo025587+
Solvent Unknown
Source File Reference UWLU26040