For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR, and 1 FTIR

5-(METHYLTHIO)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL
SpectraBase Compound ID CeWpXgt6ZWX
InChI InChI=1S/C14H16F3N3O2S/c1-21-12(22-2)8-11-18-19-13(23-3)20(11)10-6-4-5-9(7-10)14(15,16)17/h4-7,12H,8H2,1-3H3
InChIKey PMMPNZCSHXGHFR-UHFFFAOYSA-N
Mol Weight 347.36 g/mol
Molecular Formula C14H16F3N3O2S
Exact Mass 347.091532 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID esB2TRioRZ
Name 5-(METHYLTHIO)-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 © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16F3N3O2S
InChI InChI=1S/C14H16F3N3O2S/c1-21-12(22-2)8-11-18-19-13(23-3)20(11)10-6-4-5-9(7-10)14(15,16)17/h4-7,12H,8H2,1-3H3
InChIKey PMMPNZCSHXGHFR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 71-73C
Molecular Weight 347.36
Solvent CDCl3; Reference=TMS; Temperature 297K