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4-amino-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5JmhiLO0HYO
InChI InChI=1S/C9H9FN4OS/c10-6-1-3-7(4-2-6)15-5-8-12-13-9(16)14(8)11/h1-4H,5,11H2,(H,13,16)
InChIKey AESMUDCEWIPGBC-UHFFFAOYSA-N
Mol Weight 240.26 g/mol
Molecular Formula C9H9FN4OS
Exact Mass 240.04811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B1pb1dMStgK
Name 4-amino-5-[(4-fluorophenoxy)methyl]-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/C9H9FN4OS/c10-6-1-3-7(4-2-6)15-5-8-12-13-9(16)14(8)11/h1-4H,5,11H2,(H,13,16)
InChIKey AESMUDCEWIPGBC-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14323
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: 766/555770; Labnumber: 766/555770218889; VK_ID: VK-014328
Synonyms 4-amino-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C