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(1SR,6RS,7SR)-1-[[6-(TERT.-BUTYLAMINO)-BENZYL]-2,4-CYCLOHEXADIENYL]-PHENYLPHOSPHINIC-ACID
SpectraBase Compound ID 5Gqi4ngQzW6
InChI InChI=1S/2C23H28NO2P/c2*1-23(2,3)24-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)27(25,26)19-14-8-5-9-15-19/h2*4-17,20-22,24H,1-3H3,(H,25,26)/t2*20-,21+,22+/m00/s1
InChIKey LAQIXNDWRSNLOP-DIUIPBGSSA-N
Mol Weight 762.91 g/mol
Molecular Formula C46H56N2O4P2
Exact Mass 762.371532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0BL2T5UYQK
Name (1SR,6RS,7SR)-1-[[6-(TERT.-BUTYLAMINO)-BENZYL]-2,4-CYCLOHEXADIENYL]-PHENYLPHOSPHINIC-ACID
Compound Number 21C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H54N2O4P2
InChI InChI=1S/2C23H28NO2P/c2*1-23(2,3)24-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)27(25,26)19-14-8-5-9-15-19/h2*4-17,20-22,24H,1-3H3,(H,25,26)/t2*20-,21+,22+/m00/s1
InChIKey LAQIXNDWRSNLOP-DIUIPBGSSA-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+
Molecular Weight 760.893 g/mol
Solvent Unknown
Source File Reference UWLU26039