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5-(BENZYLTHIO)-4-(p-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL
SpectraBase Compound ID IX3QUBQzXow
InChI InChI=1S/C19H20ClN3O2S/c1-24-18(25-2)12-17-21-22-19(26-13-14-6-4-3-5-7-14)23(17)16-10-8-15(20)9-11-16/h3-11,18H,12-13H2,1-2H3
InChIKey PLMHICASAWCBQD-UHFFFAOYSA-N
Mol Weight 389.9 g/mol
Molecular Formula C19H20ClN3O2S
Exact Mass 389.096476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BZwjnz7mPVv
Name 5-(BENZYLTHIO)-4-(p-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20ClN3O2S
InChI InChI=1S/C19H20ClN3O2S/c1-24-18(25-2)12-17-21-22-19(26-13-14-6-4-3-5-7-14)23(17)16-10-8-15(20)9-11-16/h3-11,18H,12-13H2,1-2H3
InChIKey PLMHICASAWCBQD-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 87-89C
Molecular Weight 389.91
Solvent CDCl3; Reference=TMS; Temperature 297K