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2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
SpectraBase Compound ID CsPrYJQp40h
InChI InChI=1S/C20H18Cl2N4OS/c1-3-8-26-19(14-6-4-13(2)5-7-14)24-25-20(26)28-12-18(27)23-17-10-15(21)9-16(22)11-17/h3-7,9-11H,1,8,12H2,2H3,(H,23,27)
InChIKey UEDMWZWQWHSBGG-UHFFFAOYSA-N
Mol Weight 433.36 g/mol
Molecular Formula C20H18Cl2N4OS
Exact Mass 432.057838 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HFMHWjyzGzZ
Name 2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
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/C20H18Cl2N4OS/c1-3-8-26-19(14-6-4-13(2)5-7-14)24-25-20(26)28-12-18(27)23-17-10-15(21)9-16(22)11-17/h3-7,9-11H,1,8,12H2,2H3,(H,23,27)
InChIKey UEDMWZWQWHSBGG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14365
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: D98319; Labnumber: GRES-19210; SBI_ID: SBI-014368
Temperature 308 °C