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

View entire compound with spectra: 1 NMR

5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JeaUl4Jcux3
InChI InChI=1S/C11H11N3O2S/c1-2-14-10(12-13-11(14)17)7-3-4-8-9(5-7)16-6-15-8/h3-5H,2,6H2,1H3,(H,13,17)
InChIKey KZMHWIQZJUXNDA-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2NcQialEEAm
Name 5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
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/C11H11N3O2S/c1-2-14-10(12-13-11(14)17)7-3-4-8-9(5-7)16-6-15-8/h3-5H,2,6H2,1H3,(H,13,17)
InChIKey KZMHWIQZJUXNDA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6125
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: UZI/1024076; Labnumber: COL0942; UZI_ID: UZI-006127
Synonyms 5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C