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Diacerein
SpectraBase Compound ID borKlYGx49
InChI InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)
InChIKey TYNLGDBUJLVSMA-UHFFFAOYSA-N
Mol Weight 368.3 g/mol
Molecular Formula C19H12O8
Exact Mass 368.053217 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID AAVSCWJEeOQ
Name Diacerein
Source of Sample Cayman Chemical Company
Catalog Number 11710
Lot Number 0456465-7
Accessory DurasamplIR II
Acronyms DAR
Apodization Function Norton-Beer, medium
CAS Registry Number 13739-02-1
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12O8
IUPAC Name 4,5-Bis(acetyloxy)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid
InChI InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)
InChIKey TYNLGDBUJLVSMA-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES OC(c1cc2C(c3cccc(c3C(c2c(c1)OC(C)=O)=O)OC(=O)C)=O)=O
Source of Spectrum Forensic Spectral Research
Synonyms 4,5-Diacetylrhein; SF-277
Technique ATR-Neat