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(3AR,6ARS,10ARS)-6A-HYDROXY-2-(4-METHYLPHENYL)-1-THIOXO-DODECAHYDRO-PYRROLO-[3,4-D]-QUINOLINE-3,5-DIONE
SpectraBase Compound ID 4SxrLN4viSC
InChI InChI=1S/C18H20N2O3S/c1-11-4-6-12(7-5-11)20-15(22)13-10-14(21)19-18(23)9-3-2-8-17(13,18)16(20)24/h4-7,13,23H,2-3,8-10H2,1H3,(H,19,21)/t13-,17-,18+/m0/s1
InChIKey MNSOQJXJYNXEOZ-DOPJRALCSA-N
Mol Weight 344.43 g/mol
Molecular Formula C18H20N2O3S
Exact Mass 344.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QVXefs9x1o
Name (3AR,6ARS,10ARS)-6A-HYDROXY-2-(4-METHYLPHENYL)-1-THIOXO-DODECAHYDRO-PYRROLO-[3,4-D]-QUINOLINE-3,5-DIONE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N2O3S
InChI InChI=1S/C18H20N2O3S/c1-11-4-6-12(7-5-11)20-15(22)13-10-14(21)19-18(23)9-3-2-8-17(13,18)16(20)24/h4-7,13,23H,2-3,8-10H2,1H3,(H,19,21)/t13-,17-,18+/m0/s1
InChIKey MNSOQJXJYNXEOZ-DOPJRALCSA-N
Literature Reference Author A.BUDZOWSKI,M.PITAK,K.STADNICKA
Literature Reference Citation MH.CHEM.,138,1257(2007)
Literature Reference DOI 10.1007/s00706-007-0654-x
Molecular Weight 344.428 g/mol
Sample ID 68625
Solvent DMSO-D6