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

*Links on SpectraBase are not permalinks.

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

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

5-(METHYLTHIO)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE,DIMETHYL ACETAL
SpectraBase Compound ID 4iKf0rpuI3b
InChI InChI=1S/C13H17N3O2S/c1-17-12(18-2)9-11-14-15-13(19-3)16(11)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey YMPDRFOMTVGLNF-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C13H17N3O2S
Exact Mass 279.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID LVQyHm8Uu0e
Name 5-(METHYLTHIO)-4-PHENYL-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 C13H17N3O2S
InChI InChI=1S/C13H17N3O2S/c1-17-12(18-2)9-11-14-15-13(19-3)16(11)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey YMPDRFOMTVGLNF-UHFFFAOYSA-N
Molecular Weight 279.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms TRIAZOLE-3-ACETALDEHYDE, 4H-1,2,4-, 5-/METHYLTHIO/-4-PHENYL-, DIMETHYL ACETAL