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(4S,1'R)-(1'-Ethoxycarbonylmethyl-6'-phenylhexyl)-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID FM5TROQu4nu
InChI InChI=1S/2C26H41NO5/c2*1-7-30-23(28)18-21(17-13-9-12-16-20-14-10-8-11-15-20)22-19-31-26(5,6)27(22)24(29)32-25(2,3)4/h2*8,10-11,14-15,21-22H,7,9,12-13,16-19H2,1-6H3/t21-,22+;21-,22-/m01/s1
InChIKey DQEDRXLGIMWTFQ-GCNMBITQSA-N
Mol Weight 895.2 g/mol
Molecular Formula C52H82N2O10
Exact Mass 894.596947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsEQ8xfIPLH
Name (4S,1'S)-(1'-ETHOXYCARBONYLMETHYL-6'-PHENYLHEXYL)-2,2-DIMETHYL-OXAZOLIDINE-3-CARBOXYLIC-ACID-TERT.-BUTYLESTER
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H82N2O10
InChI InChI=1S/2C26H41NO5/c2*1-7-30-23(28)18-21(17-13-9-12-16-20-14-10-8-11-15-20)22-19-31-26(5,6)27(22)24(29)32-25(2,3)4/h2*8,10-11,14-15,21-22H,7,9,12-13,16-19H2,1-6H3/t21-,22+;21-,22-/m01/s1
InChIKey DQEDRXLGIMWTFQ-GCNMBITQSA-N
Literature Reference Author Y.S.HON,Y.C.CHANG,K.P.CHU
Literature Reference Citation J.CHIN.CHEM.SOC.,47,91(2000)
Literature Reference DOI 10.1002/jccs.200000010
Molecular Weight 895.230 g/mol
Solvent CDCl3
Source File Reference UWMS3145