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(-)-(1S,1'R)-O,O'-DIMETHYLGRISABINE

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(-)-(1S,1'R)-O,O'-DIMETHYLGRISABINE
SpectraBase Compound ID LczofUso8AY
InChI InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33+/m1/s1
InChIKey UHYCXSGUNAWVBW-SAIUNTKASA-N
Mol Weight 638.8 g/mol
Molecular Formula C39H46N2O6
Exact Mass 638.335587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rzSa3Swryp
Name (-)-(1S,1'R)-O,O'-DIMETHYLGRISABINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H46N2O6
InChI InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33+/m1/s1
InChIKey UHYCXSGUNAWVBW-SAIUNTKASA-N
Literature Reference Author P.SEDMERA,N.T.NGHIA,I.VALKA,A.CAVE,D.CORTES,V.SIMANEK
Literature Reference Citation HETEROCYCLES,30,205(1990)
Literature Reference DOI 10.3987/COM-89-S2
Molecular Weight 638.804 g/mol
Solvent CDCl3
Source File Reference UWMZ662