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GW 501516
SpectraBase Compound ID 58vTDpE83gm
InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
InChIKey YDBLKRPLXZNVNB-UHFFFAOYSA-N
Mol Weight 453.49 g/mol
Molecular Formula C21H18F3NO3S2
Exact Mass 453.06802 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 1hDS1Lt4CIq
Name GW 501516
Source of Sample Cayman Chemical Company
Catalog Number 36516
Lot Number 0640039-4
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 317318-70-0
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Formula C21H18F3NO3S2
InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
InChIKey YDBLKRPLXZNVNB-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES OC(COc1ccc(SCc2c(nc(-c3ccc(cc3)C(F)(F)F)s2)C)cc1C)=O
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat