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3-[(2,6-dichlorobenzyl)sulfanyl]-4-(2-furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID GFFxPwwUYTy
InChI InChI=1S/C21H17Cl2N3O2S/c1-27-15-6-2-5-14(11-15)20-24-25-21(26(20)12-16-7-4-10-28-16)29-13-17-18(22)8-3-9-19(17)23/h2-11H,12-13H2,1H3
InChIKey UDFNQIYRZLXZNA-UHFFFAOYSA-N
Mol Weight 446.35 g/mol
Molecular Formula C21H17Cl2N3O2S
Exact Mass 445.041853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AUIklS7Zv4e
Name 3-[(2,6-dichlorobenzyl)sulfanyl]-4-(2-furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
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/C21H17Cl2N3O2S/c1-27-15-6-2-5-14(11-15)20-24-25-21(26(20)12-16-7-4-10-28-16)29-13-17-18(22)8-3-9-19(17)23/h2-11H,12-13H2,1H3
InChIKey UDFNQIYRZLXZNA-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11132
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: E06131; Labnumber: GRES-16671; SBI_ID: SBI-011135
Synonyms 3-[5-[(2,6-dichlorobenzyl)sulfanyl]-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]phenyl methyl ether
Temperature 306 °C