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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) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5O75CrPTGxc
Name 4'-chloro-2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl)-4H-1,2,4-triazole-3-yl]thio}acetophenone
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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 Varian CFT-20
Sadtler NMR Number 58568M
Solvent CDCl3