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phenol, 4-chloro-2-[5-mercapto-4-(5-quinolinyl)-4H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID Iryio0ZJy9e
InChI InChI=1S/C17H11ClN4OS/c18-10-6-7-15(23)12(9-10)16-20-21-17(24)22(16)14-5-1-4-13-11(14)3-2-8-19-13/h1-9,23H,(H,21,24)
InChIKey CBHRXADWCFETBF-UHFFFAOYSA-N
Mol Weight 354.82 g/mol
Molecular Formula C17H11ClN4OS
Exact Mass 354.03421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5FsVz1KNgBU
Name phenol, 4-chloro-2-[5-mercapto-4-(5-quinolinyl)-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/C17H11ClN4OS/c18-10-6-7-15(23)12(9-10)16-20-21-17(24)22(16)14-5-1-4-13-11(14)3-2-8-19-13/h1-9,23H,(H,21,24)
InChIKey CBHRXADWCFETBF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1788
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: F13014; Labnumber: NNOBK-9013