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

View entire compound with spectra: 1 NMR

5-(1-benzothien-3-yl)-4-butyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID DFl4Kxjo6Vl
InChI InChI=1S/C14H15N3S2/c1-2-3-8-17-13(15-16-14(17)18)11-9-19-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKey LGJBLDKSZRZVQD-UHFFFAOYSA-N
Mol Weight 289.41 g/mol
Molecular Formula C14H15N3S2
Exact Mass 289.07074 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4RMuToF07p5
Name 5-(1-benzothien-3-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/C14H15N3S2/c1-2-3-8-17-13(15-16-14(17)18)11-9-19-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKey LGJBLDKSZRZVQD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6301
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/1023663; Labnumber: COL1291; UZI_ID: UZI-006303
Synonyms 5-(1-benzothien-3-yl)-4-butyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C