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N-BENZYLOXYCARBONYL-N-METHYL-L-THREONINE-O-ACETATE-DICYCLOHEXYLAMINE-SALT
SpectraBase Compound ID JiZpekeuZCG
InChI InChI=1S/2C15H19NO6.2C12H23N/c2*1-10(22-11(2)17)13(14(18)19)16(3)15(20)21-9-12-7-5-4-6-8-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2*4-8,10,13H,9H2,1-3H3,(H,18,19);2*11-13H,1-10H2/t2*10-,13-;;/m11../s1
InChIKey ZFEPUNHRWHNYOD-CYVRECJUSA-N
Mol Weight 981.28 g/mol
Molecular Formula C54H84N4O12
Exact Mass 980.608574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4qMK4UnXQ6
Name N-BENZYLOXYCARBONYL-N-METHYL-L-THREONINE-O-ACETATE-DICYCLOHEXYLAMINE-SALT
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H84N4O12
InChI InChI=1S/2C15H19NO6.2C12H23N/c2*1-10(22-11(2)17)13(14(18)19)16(3)15(20)21-9-12-7-5-4-6-8-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2*4-8,10,13H,9H2,1-3H3,(H,18,19);2*11-13H,1-10H2/t2*10-,13-;;/m11../s1
InChIKey ZFEPUNHRWHNYOD-CYVRECJUSA-N
Literature Reference Author L.AURELIO,J.S.BOX,R.T.C.BROWNLEE,A.B.HUGHES,M.M.SLEEBS
Literature Reference Citation J.ORG.CHEM.,68,2652(2003)
Literature Reference DOI 10.1021/jo026722l
Molecular Weight 981.281 g/mol
Solvent CDCl3
Source File Reference UWLU27969