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4-(2H-1,3-benzodioxol-5-ylmethyl)-5-methyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(2H-1,3-benzodioxol-5-ylmethyl)-5-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JbotMdK1Dwn
InChI InChI=1S/C11H11N3O2S/c1-7-12-13-11(17)14(7)5-8-2-3-9-10(4-8)16-6-15-9/h2-4H,5-6H2,1H3,(H,13,17)
InChIKey BCHBHPWUYUUUFK-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 IElRWBsghdL
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-
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/c1-7-12-13-11(17)14(7)5-8-2-3-9-10(4-8)16-6-15-9/h2-4H,5-6H2,1H3,(H,13,17)
InChIKey BCHBHPWUYUUUFK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6021
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: F26747; Labnumber: NNOBK-9328