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

View entire compound with spectra: 1 NMR

5-(1,3-benzodioxol-5-yl)-4-isobutyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID FcETnCFYZ4w
InChI InChI=1S/C13H15N3O2S/c1-8(2)6-16-12(14-15-13(16)19)9-3-4-10-11(5-9)18-7-17-10/h3-5,8H,6-7H2,1-2H3,(H,15,19)
InChIKey ZIBQYOJEMQNTJB-UHFFFAOYSA-N
Mol Weight 277.34 g/mol
Molecular Formula C13H15N3O2S
Exact Mass 277.088498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2svVxTahReB
Name 5-(1,3-benzodioxol-5-yl)-4-isobutyl-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/C13H15N3O2S/c1-8(2)6-16-12(14-15-13(16)19)9-3-4-10-11(5-9)18-7-17-10/h3-5,8H,6-7H2,1-2H3,(H,15,19)
InChIKey ZIBQYOJEMQNTJB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6478
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/1026289; Labnumber: COL1664; UZI_ID: UZI-006480
Synonyms 5-(1,3-benzodioxol-5-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C