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(3)-EPSILON-P,N2,S-CALIXPHYRIN

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(3)-EPSILON-P,N2,S-CALIXPHYRIN
SpectraBase Compound ID 6MZIehtmjVx
InChI InChI=1S/C45H39N2PS/c1-44(2)38-27-23-34(46-38)40(29-15-8-5-9-16-29)36-25-26-37(49-36)41(30-17-10-6-11-18-30)35-24-28-39(47-35)45(3,4)43-33-22-14-21-32(33)42(44)48(43)31-19-12-7-13-20-31/h5-13,15-20,23-28H,14,21-22H2,1-4H3/b40-34-,41-35-
InChIKey FZZSHNQRCBBLSY-GDOSHIBLSA-N
Mol Weight 670.9 g/mol
Molecular Formula C45H39N2PS
Exact Mass 670.257157 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBZEloJYJTv
Name (3)-EPSILON-P,N2,S-CALIXPHYRIN
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H39N2PS
InChI InChI=1S/C45H39N2PS/c1-44(2)38-27-23-34(46-38)40(29-15-8-5-9-16-29)36-25-26-37(49-36)41(30-17-10-6-11-18-30)35-24-28-39(47-35)45(3,4)43-33-22-14-21-32(33)42(44)48(43)31-19-12-7-13-20-31/h5-13,15-20,23-28H,14,21-22H2,1-4H3/b40-34-,41-35-
InChIKey FZZSHNQRCBBLSY-GDOSHIBLSA-N
Literature Reference Author Y.MATANO,T.NAKABUCHI,T.MIYAYIMA,H.IMAHORI,H.NAKANO
Literature Reference Citation ORG.LETTERS,8,5713(2006)
Literature Reference DOI 10.1021/ol0622763
Solvent CDCl3
Source File Reference UWLU59796