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3-chloro-4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
SpectraBase Compound ID FzIvZwKXYOn
InChI InChI=1S/C11H9ClN4S/c1-16-7-14-15-11(16)17-6-9-3-2-8(5-13)4-10(9)12/h2-4,7H,6H2,1H3
InChIKey KXUXFXLSEGCVPS-UHFFFAOYSA-N
Mol Weight 264.73 g/mol
Molecular Formula C11H9ClN4S
Exact Mass 264.023645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 19XMXklhutk
Name 3-chloro-4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
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/C11H9ClN4S/c1-16-7-14-15-11(16)17-6-9-3-2-8(5-13)4-10(9)12/h2-4,7H,6H2,1H3
InChIKey KXUXFXLSEGCVPS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_964
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/8253024; Labnumber: LP-52021; IOH_ID: IOH-000965
Temperature 303 °C