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4'-chloro-2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl)-4H-1,2,4-triazole-3-yl]thio}acetophenone

View entire compound with spectra: 3 NMR, and 1 FTIR

4'-chloro-2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl)-4H-1,2,4-triazole-3-yl]thio}acetophenone
SpectraBase Compound ID 3BNaLE8qooT
InChI InChI=1S/C18H19ClN4O2S2/c1-12-20-15(10-26-12)17-21-22-18(23(17)8-3-9-25-2)27-11-16(24)13-4-6-14(19)7-5-13/h4-7,10H,3,8-9,11H2,1-2H3
InChIKey UNMZPXGKEZDIIS-UHFFFAOYSA-N
Mol Weight 422.95 g/mol
Molecular Formula C18H19ClN4O2S2
Exact Mass 422.063796 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GEjrmb4wxI
Name 4'-CHLORO-2-{[4-(3-METHOXYPROPYL)-5-(2-METHYL-4-THIAZOLYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETOPHENONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19ClN4O2S2
InChI InChI=1S/C18H19ClN4O2S2/c1-12-20-15(10-26-12)17-21-22-18(23(17)8-3-9-25-2)27-11-16(24)13-4-6-14(19)7-5-13/h4-7,10H,3,8-9,11H2,1-2H3
InChIKey UNMZPXGKEZDIIS-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 83-85C
Molecular Weight 422.96
Solvent CDCl3; Reference=TMS; Temperature 297K