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(3AR,6ARS,9ARS)-2-(4-BROMOPHENYL)-6A-HYDROXY-1-THIOXO-DECAHYDRO-1H-CYCLOPENTA-[B]-PYRROLO-[3,4-C]-PYRIDINE-3,5-DIONE
SpectraBase Compound ID 9DWmHV3PhY
InChI InChI=1S/C16H15BrN2O3S/c17-9-2-4-10(5-3-9)19-13(21)11-8-12(20)18-16(22)7-1-6-15(11,16)14(19)23/h2-5,11,22H,1,6-8H2,(H,18,20)/t11-,15-,16+/m0/s1
InChIKey XUCMXCFCVXAUKA-KNXALSJPSA-N
Mol Weight 395.27 g/mol
Molecular Formula C16H15BrN2O3S
Exact Mass 393.998677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmcFeFEWT4i
Name (3AR,6ARS,9ARS)-2-(4-BROMOPHENYL)-6A-HYDROXY-1-THIOXO-DECAHYDRO-1H-CYCLOPENTA-[B]-PYRROLO-[3,4-C]-PYRIDINE-3,5-DIONE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15BrN2O3S
InChI InChI=1S/C16H15BrN2O3S/c17-9-2-4-10(5-3-9)19-13(21)11-8-12(20)18-16(22)7-1-6-15(11,16)14(19)23/h2-5,11,22H,1,6-8H2,(H,18,20)/t11-,15-,16+/m0/s1
InChIKey XUCMXCFCVXAUKA-KNXALSJPSA-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 395.271 g/mol
Sample ID 68624
Solvent DMSO-D6