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1-(4-Methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SpectraBase Compound ID DIEtDX0zDga
InChI InChI=1S/C12H13N3O2S/c1-15-8-13-14-12(15)18-7-11(16)9-3-5-10(17-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey VSKKWDMIDTVZIW-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C12H13N3O2S
Exact Mass 263.072848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fk9OMoneLq5
Name ethanone, 1-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.072847843 u
Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-15-8-13-14-12(15)18-7-11(16)9-3-5-10(17-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey VSKKWDMIDTVZIW-UHFFFAOYSA-N
Molecular Weight 263.315 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4308
Solvent DMSO-d6
Source Vendor ID: NMR/9211750; Lab Info: L-25; Lab Number: L-25,Dontsova
Temperature 23.85 °C