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

View entire compound with spectra: 1 NMR

5-(1,3-benzodioxol-5-yl)-4-butyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID KhUS0gakHUd
InChI InChI=1S/C13H15N3O2S/c1-2-3-6-16-12(14-15-13(16)19)9-4-5-10-11(7-9)18-8-17-10/h4-5,7H,2-3,6,8H2,1H3,(H,15,19)
InChIKey AEYYEPDLLGWSHD-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 9mw66V1F06
Name 5-(1,3-benzodioxol-5-yl)-4-butyl-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/c1-2-3-6-16-12(14-15-13(16)19)9-4-5-10-11(7-9)18-8-17-10/h4-5,7H,2-3,6,8H2,1H3,(H,15,19)
InChIKey AEYYEPDLLGWSHD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6482
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/1025971; Labnumber: COL1668; UZI_ID: UZI-006484
Synonyms 5-(1,3-benzodioxol-5-yl)-4-butyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C