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4-chlorobenzyl 1H-1,2,4-triazol-3-yl sulfide

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4-chlorobenzyl 1H-1,2,4-triazol-3-yl sulfide
SpectraBase Compound ID 8nM5fayny3q
InChI InChI=1S/C9H8ClN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)
InChIKey IPYLPWUQKVUWGY-UHFFFAOYSA-N
Mol Weight 225.7 g/mol
Molecular Formula C9H8ClN3S
Exact Mass 225.012746 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EbTa4wsRx6K
Name 4-chlorobenzyl 1H-1,2,4-triazol-3-yl sulfide
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/C9H8ClN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)
InChIKey IPYLPWUQKVUWGY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_276
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/8024146; Labnumber: LP-3700359; IOH_ID: IOH-000277
Synonyms 3-[(4-chlorobenzyl)sulfanyl]-1H-1,2,4-triazole
Temperature 303 °C