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2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-dimethylphenyl)acetamide
SpectraBase Compound ID 4X6hsiM98k5
InChI InChI=1S/C21H20Cl2N4OS/c1-4-8-27-20(15-6-5-7-16(22)11-15)25-26-21(27)29-12-18(28)24-19-14(3)9-13(2)10-17(19)23/h4-7,9-11H,1,8,12H2,2-3H3,(H,24,28)
InChIKey TZAKUXOMXMWHQF-UHFFFAOYSA-N
Mol Weight 447.38 g/mol
Molecular Formula C21H20Cl2N4OS
Exact Mass 446.073488 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 24suVZGjiw1
Name 2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-dimethylphenyl)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/C21H20Cl2N4OS/c1-4-8-27-20(15-6-5-7-16(22)11-15)25-26-21(27)29-12-18(28)24-19-14(3)9-13(2)10-17(19)23/h4-7,9-11H,1,8,12H2,2-3H3,(H,24,28)
InChIKey TZAKUXOMXMWHQF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11120
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: E06113; Labnumber: GRES-16262; SBI_ID: SBI-011123
Temperature 306 °C