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2,5-pyrrolidinedione, 1-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylthio)-
SpectraBase Compound ID FMURT4e4sUM
InChI InChI=1S/C13H12N4O2S/c1-8-2-4-9(5-3-8)17-11(18)6-10(12(17)19)20-13-14-7-15-16-13/h2-5,7,10H,6H2,1H3,(H,14,15,16)
InChIKey SAPBJHBAACSRFO-UHFFFAOYSA-N
Mol Weight 288.32 g/mol
Molecular Formula C13H12N4O2S
Exact Mass 288.068097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2EP2efwnAgV
Name 2,5-pyrrolidinedione, 1-(4-methylphenyl)-3-(4H-1,2,4-triazol-3-ylthio)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.068096814 u
Formula C13H12N4O2S
InChI InChI=1S/C13H12N4O2S/c1-8-2-4-9(5-3-8)17-11(18)6-10(12(17)19)20-13-14-7-15-16-13/h2-5,7,10H,6H2,1H3,(H,14,15,16)
InChIKey SAPBJHBAACSRFO-UHFFFAOYSA-N
Molecular Weight 288.325 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2819
Solvent DMSO-d6
Source Vendor ID: ZI/9026589; Lab Info: VGY; Lab Number: VGY-0005731
Temperature 29.85 °C