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METHYL-(2S,4S)-N-[(2S)-N-(TERT.-BUTOXYCARBONYL)-2-METHYLPROPYL]-4-(ACETYLTHIO)-PROLINATE
SpectraBase Compound ID 3MICaEQjrXC
InChI InChI=1S/C19H30N2O6S/c1-12(22)28-13-10-14(15(23)26-6)20(11-13)16(24)19(5)8-7-9-21(19)17(25)27-18(2,3)4/h13-14H,7-11H2,1-6H3/t13-,14-,19-/m0/s1
InChIKey ZTUSGSGVZVRAJF-NJSLBKSFSA-N
Mol Weight 414.52 g/mol
Molecular Formula C19H30N2O6S
Exact Mass 414.182458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArexYQVgt64
Name METHYL-(2S,4S)-N-[(2S)-N-(TERT.-BUTOXYCARBONYL)-2-METHYLPROPYL]-4-(ACETYLTHIO)-PROLINATE
Compound Number 37
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H30N2O6S
InChI InChI=1S/C19H30N2O6S/c1-12(22)28-13-10-14(15(23)26-6)20(11-13)16(24)19(5)8-7-9-21(19)17(25)27-18(2,3)4/h13-14H,7-11H2,1-6H3/t13-,14-,19-/m0/s1
InChIKey ZTUSGSGVZVRAJF-NJSLBKSFSA-N
Literature Reference Author A.LEWIS,J.WILKIE,T.J.RUTHERFORD,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3777(1998)
Literature Reference DOI 10.1039/a806030d
Molecular Weight 414.517 g/mol
Solvent CDCl3
Source File Reference UWCP9350