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Auranofin
SpectraBase Compound ID Lr09Dygli5m
InChI InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/t10-,11-,12+,13-,14+;;/m1../s1
InChIKey IRPYFWIZKIOHQN-XTZHGVARSA-N
Mol Weight 679.5 g/mol
Molecular Formula C20H35AuO9PS
Exact Mass 679.140511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bonk5HwewuT
Name AURANOFIN-ARTIFACT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H19O9
InChI InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/t10-,11-,12+,13-,14+;;/m1../s1
InChIKey IRPYFWIZKIOHQN-XTZHGVARSA-N
Instrument Name DI
Molecular Weight 679.491 g/mol
SMILES [C@@]1([C@@](OC(C)=O)([C@](S[Au][PH](CC)(CC)CC)(O[C@](COC(C)=O)([C@]1(OC(C)=O)[H])[H])[H])[H])(OC(C)=O)[H]
SPLASH splash10-0006-9500000000-58993657fc2d1e41403f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany