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5-(BENZYLTHIO)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL

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

5-(BENZYLTHIO)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL
SpectraBase Compound ID I5xXIUm73SD
InChI InChI=1S/C19H21N3O2S/c1-23-18(24-2)13-17-20-21-19(22(17)16-11-7-4-8-12-16)25-14-15-9-5-3-6-10-15/h3-12,18H,13-14H2,1-2H3
InChIKey UBTUJRGASYKYBH-UHFFFAOYSA-N
Mol Weight 355.46 g/mol
Molecular Formula C19H21N3O2S
Exact Mass 355.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D0PZOHdG84K
Name 5-(BENZYLTHIO)-4-PHENYL-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 C19H21N3O2S
InChI InChI=1S/C19H21N3O2S/c1-23-18(24-2)13-17-20-21-19(22(17)16-11-7-4-8-12-16)25-14-15-9-5-3-6-10-15/h3-12,18H,13-14H2,1-2H3
InChIKey UBTUJRGASYKYBH-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 118-120C
Molecular Weight 355.46
Solvent CDCl3; Reference=TMS; Temperature 297K