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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-

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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-
SpectraBase Compound ID ClWnwniNALj
InChI InChI=1S/C15H13N5O2S/c23-15-19-18-14(11-6-10(16-17-11)8-1-2-8)20(15)9-3-4-12-13(5-9)22-7-21-12/h3-6,8H,1-2,7H2,(H,16,17)(H,19,23)
InChIKey LCEHGHOOYVBORD-UHFFFAOYSA-N
Mol Weight 327.36 g/mol
Molecular Formula C15H13N5O2S
Exact Mass 327.078996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D7mO99JhDdU
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-
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/C15H13N5O2S/c23-15-19-18-14(11-6-10(16-17-11)8-1-2-8)20(15)9-3-4-12-13(5-9)22-7-21-12/h3-6,8H,1-2,7H2,(H,16,17)(H,19,23)
InChIKey LCEHGHOOYVBORD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_253
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: F03848; Labnumber: NNOBK-8223
Temperature 308 °C