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4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLIC-ACID,6-HYDROXY-3,3-DIMETHYL-7-OXO-(2,2-DIMETHYL-1-OXOPROPOXY)-METHYLESTER-[2S-(2-ALPHA,5-ALPHA,6-ALPHA)]

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4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLIC-ACID,6-HYDROXY-3,3-DIMETHYL-7-OXO-(2,2-DIMETHYL-1-OXOPROPOXY)-METHYLESTER-[2S-(2-ALPHA,5-ALPHA,6-ALPHA)]
SpectraBase Compound ID 6qziMsIqqyb
InChI InChI=1S/C14H21NO6S/c1-13(2,3)12(19)21-6-20-11(18)8-14(4,5)22-10-7(16)9(17)15(8)10/h7-8,10,16H,6H2,1-5H3/t7-,8-,10?/m0/s1
InChIKey XJOOMHYGNMOMBX-JIBHNJPVSA-N
Mol Weight 331.38 g/mol
Molecular Formula C14H21NO6S
Exact Mass 331.108959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUsRxA8nxol
Name 4-THIA-1-AZABICYCLO-[3.2.0]-HEPTANE-2-CARBOXYLIC-ACID,6-HYDROXY-3,3-DIMETHYL-7-OXO-(2,2-DIMETHYL-1-OXOPROPOXY)-METHYLESTER-[2S-(2-ALPHA,5-ALPHA,6-ALPHA)]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H21NO6S
InChI InChI=1S/C14H21NO6S/c1-13(2,3)12(19)21-6-20-11(18)8-14(4,5)22-10-7(16)9(17)15(8)10/h7-8,10,16H,6H2,1-5H3/t7-,8-,10?/m0/s1
InChIKey XJOOMHYGNMOMBX-JIBHNJPVSA-N
Literature Reference Author E.G.MATA,E.L.SETTI,O.A.MASCARETTI
Literature Reference Citation J.ORG.CHEM.,55,3674(1990)
Literature Reference DOI 10.1021/jo00298a059
Molecular Weight 331.384 g/mol
Solvent CDCl3
Source File Reference UWED9970