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p-chlorophenyl 3-(4-pyridyl)-s-triazol-5-yl ketone, hemihydrate

View entire compound with spectra: 1 FTIR, and 2 UV-Vis

p-chlorophenyl 3-(4-pyridyl)-s-triazol-5-yl ketone, hemihydrate
SpectraBase Compound ID 2AKGp3T1b9V
InChI InChI=1S/2C14H9ClN4O.H2O/c2*15-11-3-1-9(2-4-11)12(20)14-17-13(18-19-14)10-5-7-16-8-6-10;/h2*1-8H,(H,17,18,19);1H2
InChIKey CUJKORRSMSHBTI-UHFFFAOYSA-N
Mol Weight 293.713 g/mol
Molecular Formula C14H9ClN4O·½H2O
Exact Mass 293.051771 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9TjJ4lOHK48
Name p-CHLOROPHENYL 3-(4-PYRIDYL)-s-TRIAZOL-5-YL KETONE, HEMIHYDRATE
Source of Sample E. J. Browne & J. B. Polya, the University of Tasmania, Hobart, Tasmania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20Cl2N8O3
InChI InChI=1S/2C14H9ClN4O.H2O/c2*15-11-3-1-9(2-4-11)12(20)14-17-13(18-19-14)10-5-7-16-8-6-10;/h2*1-8H,(H,17,18,19);1H2
InChIKey CUJKORRSMSHBTI-UHFFFAOYSA-N
Literature Reference JCSO (C), 824(1968)
Melting Point 300C
Molecular Weight 587.421021
Synonyms KETONE, P-CHLOROPHENYL 3-/4- PYRIDYL/-S-TRIAZOL-5-YL, HEMIHYDRATE
Technique KBr WAFER