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(3AS*,4R*,7R*,7AS*)-3A,4,7,7A-TETRAHYDRO-2-METHYL-1,3,8-TRIOXO-7-(3-OXOBUTYL)-4,7-ETHENOTHIOPYRANO-[3,4-C]-PYRROLE-1,3(2H,6H)-DION

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(3AS*,4R*,7R*,7AS*)-3A,4,7,7A-TETRAHYDRO-2-METHYL-1,3,8-TRIOXO-7-(3-OXOBUTYL)-4,7-ETHENOTHIOPYRANO-[3,4-C]-PYRROLE-1,3(2H,6H)-DION
SpectraBase Compound ID 3cHRDCcqxOA
InChI InChI=1S/C14H17NO4S/c1-7(16)3-4-14-6-20-8(5-9(14)17)10-11(14)13(19)15(2)12(10)18/h8,10-11H,3-6H2,1-2H3/t8-,10+,11-,14+/m0/s1
InChIKey UJJXEJSKSPSQQB-WQURNTSKSA-N
Mol Weight 295.35 g/mol
Molecular Formula C14H17NO4S
Exact Mass 295.087829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cd9PTjMGjgu
Name (3AS*,4R*,7R*,7AS*)-3A,4,7,7A-TETRAHYDRO-2-METHYL-1,3,8-TRIOXO-7-(3-OXOBUTYL)-4,7-ETHENOTHIOPYRANO-[3,4-C]-PYRROLE-1,3(2H,6H)-DION
Compound Number 22B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17NO4S
InChI InChI=1S/C14H17NO4S/c1-7(16)3-4-14-6-20-8(5-9(14)17)10-11(14)13(19)15(2)12(10)18/h8,10-11H,3-6H2,1-2H3/t8-,10+,11-,14+/m0/s1
InChIKey UJJXEJSKSPSQQB-WQURNTSKSA-N
Literature Reference Author D.E.WARD,Y.GAI
Literature Reference Citation CAN.J.CHEM.,75,681(1997)
Literature Reference DOI 10.1139/v97-082
Molecular Weight 295.353 g/mol
Solvent CDCl3
Source File Reference UWCP5017