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Auranofin
SpectraBase Compound ID 8l2nB9iAPgN
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;/q;;-1/p+1/t10-,11-,12+,13-,14+;;/m1../s1
InChIKey IYUHJBHUQSINCX-XTZHGVARSA-O
Mol Weight 679.5 g/mol
Molecular Formula C20H35AuO9PS
Exact Mass 679.140511 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 34JGQFzGock
Name Auranofin
Source of Sample Cayman Chemical Company
Catalog Number 15316
Lot Number 0491957-1
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 34031-32-8
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34AuO9PS
IUPAC Name [1-(Thio-κS)-β-D-glucopyranose 2,3,4,6-tetraacetato](triethylphosphine)gold
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;/q;;-1/p+1/t10-,11-,12+,13-,14+;;/m1../s1
InChIKey IYUHJBHUQSINCX-XTZHGVARSA-O
Instrument Name Bio-Rad FTS
SMILES C(O[C@@]1([C@@](OC(C)=O)([C@]([S-][Au+][P](CC)(CC)CC)(O[C@@]([C@]1(OC(C)=O)[H])(COC(C)=O)[H])[H])[H])[H])(C)=O
Source of Spectrum Forensic Spectral Research
Synonyms NSC 321521; Ridauragold thiol; SKF 39162
Technique ATR-Neat