(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 Google Search
Mol Weight	409.3 g/mol
Molecular Formula	C17H17BrN2O3S
Exact Mass	408.014327 g/mol

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SpectraBase Spectrum ID	AlcTTuYrFgS
Name	(3aR,6aR,10aR)-2-(4-bromophenyl)-6a-hydroxy-1-sulfanylidene-4,6,7,8,9,10-hexahydro-3aH-pyrrolo[3,4-d]quinoline-3,5-dione
Alternate Name(s)	(3aR,6aR,10aR)-2-(4-bromophenyl)-6a-hydroxy-1-thioxo-4,6,7,8,9,10-hexahydro-3aH-pyrrolo[3,4-d]quinoline-3,5-dione (3aR,6aR,10aR)-2-(4-bromophenyl)-6a-hydroxy-1-thioxo-4,6,7,8,9,10-hexahydro-3aH-pyrrolo[3,4-d]quinoline-3,5-quinone (3aR,6aR,10aR)-2-(4-bromophenyl)-6a-oxidanyl-1-sulfanylidene-4,6,7,8,9,10-hexahydro-3aH-pyrrolo[3,4-d]quinoline-3,5-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight	409.298 g/mol
SMILES	N1C(C[C@]2(C(N(C([C@@]22[C@@]1(CCCC2)O)=S)c1ccc(cc1)Br)=O)[H])=O
SPLASH	splash10-01oy-0309000000-5dce246cff3cdd31ab10
Source of Spectrum	AH-138-1265-11
Wiley ID	1612517