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4-allyl-3-[(2,6-dichlorobenzyl)sulfanyl]-5-(3-methylphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID A4Sh85xLyeL
InChI InChI=1S/C19H17Cl2N3S/c1-3-10-24-18(14-7-4-6-13(2)11-14)22-23-19(24)25-12-15-16(20)8-5-9-17(15)21/h3-9,11H,1,10,12H2,2H3
InChIKey XCGOTRMFHPZAAE-UHFFFAOYSA-N
Mol Weight 390.33 g/mol
Molecular Formula C19H17Cl2N3S
Exact Mass 389.052024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID nbIxzNthgS
Name 4-allyl-3-[(2,6-dichlorobenzyl)sulfanyl]-5-(3-methylphenyl)-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/C19H17Cl2N3S/c1-3-10-24-18(14-7-4-6-13(2)11-14)22-23-19(24)25-12-15-16(20)8-5-9-17(15)21/h3-9,11H,1,10,12H2,2H3
InChIKey XCGOTRMFHPZAAE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11416
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: E06300; Labnumber: GRES-20074; SBI_ID: SBI-011419
Synonyms 4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl 2,6-dichlorobenzyl sulfide
Temperature 308 °C