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2-{5-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine
SpectraBase Compound ID 5aFYj1vShcX
InChI InChI=1S/C14H11Cl2N5S/c1-21-13(12-7-17-4-5-18-12)19-20-14(21)22-8-9-2-3-10(15)11(16)6-9/h2-7H,8H2,1H3
InChIKey BTELSFJXELKLAV-UHFFFAOYSA-N
Mol Weight 352.24 g/mol
Molecular Formula C14H11Cl2N5S
Exact Mass 351.011222 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9UwrqGoCn6f
Name 2-{5-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyrazine
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/C14H11Cl2N5S/c1-21-13(12-7-17-4-5-18-12)19-20-14(21)22-8-9-2-3-10(15)11(16)6-9/h2-7H,8H2,1H3
InChIKey BTELSFJXELKLAV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12446
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: D74573; Labnumber: GRESKO-2727; SBI_ID: SBI-012449
Synonyms 3,4-dichlorobenzyl 4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide
Temperature 318 °C