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(3AR,6ARS,10ARS)-2-(4-BROMOPHENYL)-6A-HYDROXY-1-THIOXO-DODECAHYDRO-PYRROLO-[3,4-D]-QUINOLINE-3,5-DIONE
SpectraBase Compound ID ILWH0AhcK2o
InChI InChI=1S/C17H17BrN2O3S/c18-10-3-5-11(6-4-10)20-14(22)12-9-13(21)19-17(23)8-2-1-7-16(12,17)15(20)24/h3-6,12,23H,1-2,7-9H2,(H,19,21)/t12-,16-,17+/m0/s1
InChIKey YOULPVJURMNYJP-AFAVFJNCSA-N
Mol Weight 409.3 g/mol
Molecular Formula C17H17BrN2O3S
Exact Mass 408.014327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3FKsboE9yH
Name (3AR,6ARS,10ARS)-2-(4-BROMOPHENYL)-6A-HYDROXY-1-THIOXO-DODECAHYDRO-PYRROLO-[3,4-D]-QUINOLINE-3,5-DIONE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17BrN2O3S
InChI InChI=1S/C17H17BrN2O3S/c18-10-3-5-11(6-4-10)20-14(22)12-9-13(21)19-17(23)8-2-1-7-16(12,17)15(20)24/h3-6,12,23H,1-2,7-9H2,(H,19,21)/t12-,16-,17+/m0/s1
InChIKey YOULPVJURMNYJP-AFAVFJNCSA-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 409.298 g/mol
Sample ID 68626
Solvent DMSO-D6