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9-(1-methyl-1H-pyrazol-5-yl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
SpectraBase Compound ID KCPfL0ggMQ4
InChI InChI=1S/C14H16N6OS/c1-19-9(6-7-15-19)12-11-8(4-3-5-10(11)21)16-13-17-14(22-2)18-20(12)13/h6-7,12H,3-5H2,1-2H3,(H,16,17,18)
InChIKey IYQUXMLESSDVJE-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C14H16N6OS
Exact Mass 316.11063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FYMOpd3Vvzo
Name 9-(1-methyl-1H-pyrazol-5-yl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H16N6OS/c1-19-9(6-7-15-19)12-11-8(4-3-5-10(11)21)16-13-17-14(22-2)18-20(12)13/h6-7,12H,3-5H2,1-2H3,(H,16,17,18)
InChIKey IYQUXMLESSDVJE-UHFFFAOYSA-N
NMR Offset 17.9115
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33899
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1998039; SBI_ID: SBI-033903
Temperature 303 °C