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phenol, 4-chloro-2-[5-mercapto-4-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-4H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID 5SQ0JA9eWpt
InChI InChI=1S/C17H13ClN6OS/c18-12-3-6-15(25)14(7-12)16-21-22-17(26)24(16)13-4-1-11(2-5-13)8-23-10-19-9-20-23/h1-7,9-10,25H,8H2,(H,22,26)
InChIKey JUDGLPRIPYSYQW-UHFFFAOYSA-N
Mol Weight 384.85 g/mol
Molecular Formula C17H13ClN6OS
Exact Mass 384.056008 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gm28gqRzWBv
Name phenol, 4-chloro-2-[5-mercapto-4-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-4H-1,2,4-triazol-3-yl]-
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/C17H13ClN6OS/c18-12-3-6-15(25)14(7-12)16-21-22-17(26)24(16)13-4-1-11(2-5-13)8-23-10-19-9-20-23/h1-7,9-10,25H,8H2,(H,22,26)
InChIKey JUDGLPRIPYSYQW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6608
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: NMR/18277058; Labnumber: OBK-8483