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8-(benzyloxy)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-acetonitrile, hydrated

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

8-(benzyloxy)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-acetonitrile, hydrated
SpectraBase Compound ID JF8pfCGwrvz
InChI InChI=1S/4C17H12F3N3O.H2O/c4*18-17(19,20)15-13(8-9-21)23-10-4-7-14(16(23)22-15)24-11-12-5-2-1-3-6-12;/h4*1-7,10H,8,11H2;1H2
InChIKey LRJMLEAHNRKLHK-UHFFFAOYSA-N
Mol Weight 335.802 g/mol
Molecular Formula C17H12F3N3O·¼H2O
Exact Mass 335.595888 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID E5nh5BMbzF0
Name 8-(BENZYLOXY)-2-(TRIFLUOROMETHYL)IMIDAZO[1,2-a]PYRIDINE-3-ACETONITRILE, HYDRATED
Source of Sample J. J. Kaminski, Schering-Plough Corporation, Bloomfield, New Jersey
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C68H50F12N12O5
InChI InChI=1S/4C17H12F3N3O.H2O/c4*18-17(19,20)15-13(8-9-21)23-10-4-7-14(16(23)22-15)24-11-12-5-2-1-3-6-12;/h4*1-7,10H,8,11H2;1H2
InChIKey LRJMLEAHNRKLHK-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 28, 876(1985) Abstract-Chemical Abstracts= 103, 192J(1985)
Melting Point 175-177C
Molecular Weight 1343.227051
Synonyms IMIDAZO/1,2-A/PYRIDINE-3-ACETO- NITRILE, 8-/BENZYLOXY/-2-/TRIFLUORO- METHYL/-, HYDRATED
Technique KBr WAFER