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5-[(4-bromo-2-chlorophenoxy)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID KTlJsbSjYsR
InChI InChI=1S/C14H15BrClN3O2S/c15-9-3-4-12(11(16)6-9)21-8-13-17-18-14(22)19(13)7-10-2-1-5-20-10/h3-4,6,10H,1-2,5,7-8H2,(H,18,22)
InChIKey DMHXXROKEIBCKU-UHFFFAOYSA-N
Mol Weight 404.71 g/mol
Molecular Formula C14H15BrClN3O2S
Exact Mass 402.975689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4MQ2drrHdTJ
Name 5-[(4-bromo-2-chlorophenoxy)methyl]-4-(tetrahydro-2-furanylmethyl)-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/C14H15BrClN3O2S/c15-9-3-4-12(11(16)6-9)21-8-13-17-18-14(22)19(13)7-10-2-1-5-20-10/h3-4,6,10H,1-2,5,7-8H2,(H,18,22)
InChIKey DMHXXROKEIBCKU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7669
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/1270023; Labnumber: COL5668; UZI_ID: UZI-007671
Synonyms 5-[(4-bromo-2-chlorophenoxy)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C