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5-(BENZYLTHIO)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL

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

5-(BENZYLTHIO)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL
SpectraBase Compound ID 1q3PxTtU8LA
InChI InChI=1S/C20H20F3N3O2S/c1-27-18(28-2)12-17-24-25-19(29-13-14-7-4-3-5-8-14)26(17)16-10-6-9-15(11-16)20(21,22)23/h3-11,18H,12-13H2,1-2H3
InChIKey KGTSFTGSSPQDJA-UHFFFAOYSA-N
Mol Weight 423.45 g/mol
Molecular Formula C20H20F3N3O2S
Exact Mass 423.122833 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CAUUodVVSmG
Name 5-(BENZYLTHIO)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL
Source of Sample BIONET RESEARCH LTD., CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20F3N3O2S
InChI InChI=1S/C20H20F3N3O2S/c1-27-18(28-2)12-17-24-25-19(29-13-14-7-4-3-5-8-14)26(17)16-10-6-9-15(11-16)20(21,22)23/h3-11,18H,12-13H2,1-2H3
InChIKey KGTSFTGSSPQDJA-UHFFFAOYSA-N
Melting Point 85-87C
Molecular Weight 423.46
Technique KBr WAFER