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

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(1-methylethyl)-
SpectraBase Compound ID HVOeYZVpBci
InChI InChI=1S/C12H13N3O2S/c1-7(2)11-13-14-12(18)15(11)8-3-4-9-10(5-8)17-6-16-9/h3-5,7H,6H2,1-2H3,(H,14,18)
InChIKey OWTDNTIAVQUDRM-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 AjkFTwkq55W
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(1-methylethyl)-
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/C12H13N3O2S/c1-7(2)11-13-14-12(18)15(11)8-3-4-9-10(5-8)17-6-16-9/h3-5,7H,6H2,1-2H3,(H,14,18)
InChIKey OWTDNTIAVQUDRM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11407
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: F42959; Labnumber: NNOBK-11612
Temperature 315 °C