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(1SR,6RS,7SR)-1-[[6-(BENZYLAMINO)-BENZYL]-2,4-CYCLOHEXADIENYL]-PHENYLPHOSPHINIC-ACID
SpectraBase Compound ID LF02O6f4t9A
InChI InChI=1S/2C26H26NO2P/c2*28-30(29,23-16-8-3-9-17-23)25-19-11-10-18-24(25)26(22-14-6-2-7-15-22)27-20-21-12-4-1-5-13-21/h2*1-19,24-27H,20H2,(H,28,29)/t2*24-,25+,26?/m00/s1
InChIKey JVIJVYNNWMLVHN-IHSHJLGASA-N
Mol Weight 830.95 g/mol
Molecular Formula C52H52N2O4P2
Exact Mass 830.340232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PZVhSJWyRS
Name (1SR,6RS,7SR)-1-[[6-(BENZYLAMINO)-BENZYL]-2,4-CYCLOHEXADIENYL]-PHENYLPHOSPHINIC-ACID
Compound Number 21B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H50N2O4P2
InChI InChI=1S/2C26H26NO2P/c2*28-30(29,23-16-8-3-9-17-23)25-19-11-10-18-24(25)26(22-14-6-2-7-15-22)27-20-21-12-4-1-5-13-21/h2*1-19,24-27H,20H2,(H,28,29)/t2*24-,25+,26?/m00/s1
InChIKey JVIJVYNNWMLVHN-IHSHJLGASA-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 828.928 g/mol
Solvent Unknown
Source File Reference UWLU26038