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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AtKSzu5t5cP
Name 5-(METHYLTHIO)-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 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
Instrument Name BRUKER AC-300
Molecular Weight 279.36
Solvent CDCl3; Reference=TMS; Temperature 297K