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ENDO-MAJOR-ISOMER
SpectraBase Compound ID 50YIyeeZcfR
InChI InChI=1S/C30H36N2OP.C5H.Co/c1-31-29(22-13-5-3-6-14-22)30(23-15-7-4-8-16-23)32(2)34(31,33)28-21-24-17-9-10-18-25(24)26-19-11-12-20-27(26)28;1-2-4-5-3-1;/h3-8,13-16,21,24,29-30H,9-12,17-20H2,1-2H3;1H;/t24-,29-,30-;;/m1../s1
InChIKey AIVPVVPRYOFZRS-ZBDNNSFRSA-N
Mol Weight 591.6 g/mol
Molecular Formula C35H37CoN2OP
Exact Mass 591.197545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fzhHcBX44t
Name EXO-MAJOR-ISOMER
Compound Number 20E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H37CoN2OP
InChI InChI=1S/C30H36N2OP.C5H.Co/c1-31-29(22-13-5-3-6-14-22)30(23-15-7-4-8-16-23)32(2)34(31,33)28-21-24-17-9-10-18-25(24)26-19-11-12-20-27(26)28;1-2-4-5-3-1;/h3-8,13-16,21,24,29-30H,9-12,17-20H2,1-2H3;1H;/t24-,29-,30-;;/m1../s1
InChIKey AIVPVVPRYOFZRS-ZBDNNSFRSA-N
Literature Reference Author F.SLOWINSKI,C.AUBERT,M.MALACRIA
Literature Reference Citation J.ORG.CHEM.,68,378(2003)
Literature Reference DOI 10.1021/jo026212r
Molecular Weight 591.598 g/mol
Solvent C6D6
Source File Reference UWVN25131