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WEB 2086

View entire compound with spectra: 1 FTIR, and 1 Raman

WEB 2086
SpectraBase Compound ID 9v4DzFqvoTA
InChI InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
InChIKey JGPJQFOROWSRRS-UHFFFAOYSA-N
Mol Weight 455.96 g/mol
Molecular Formula C22H22ClN5O2S
Exact Mass 455.118274 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID EfCAgNhWAsR
Name WEB 2086
Source of Sample Tocris Bioscience
Catalog Number 2339
Lot Number 2A/137883
Accessory DurasamplIR II
CAS Registry Number 105219-56-5
Classification potent PAF receptor antagonist
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22ClN5O2S
InChI InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
InChIKey JGPJQFOROWSRRS-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms APAFANT; 4-[3-[4[(2-Chlorophenyl)-9-methyl-6­H-thieno[3,2-f][1,2,4]triazolo[4,3-a]diazepin-2-yl­]-1-oxopropyl]morpholine
Technique ATR-Neat (DuraSamplIR II)