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3-chloro-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzonitrile
SpectraBase Compound ID KchudWkQvX7
InChI InChI=1S/C11H8ClN3S2/c1-7-14-15-11(17-7)16-6-9-3-2-8(5-13)4-10(9)12/h2-4H,6H2,1H3
InChIKey ITSTWLJUPKWCRV-UHFFFAOYSA-N
Mol Weight 281.78 g/mol
Molecular Formula C11H8ClN3S2
Exact Mass 280.984817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9mxVuFN1P6B
Name 3-chloro-4-{[(5-methyl-1,3,4-thiadiazol-2-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/C11H8ClN3S2/c1-7-14-15-11(17-7)16-6-9-3-2-8(5-13)4-10(9)12/h2-4H,6H2,1H3
InChIKey ITSTWLJUPKWCRV-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_2010
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: ZI/8010101; Labnumber: LP-0500326; IOH_ID: IOH-002011
Temperature 297 °C