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2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID E4YNle96ciW
InChI InChI=1S/C21H21ClN4OS/c1-4-12-26-20(16-10-8-14(2)9-11-16)24-25-21(26)28-13-19(27)23-18-7-5-6-17(22)15(18)3/h4-11H,1,12-13H2,2-3H3,(H,23,27)
InChIKey DWTBKEIYXRJPJN-UHFFFAOYSA-N
Mol Weight 412.94 g/mol
Molecular Formula C21H21ClN4OS
Exact Mass 412.11246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G20QnqI5vyX
Name 2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)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/C21H21ClN4OS/c1-4-12-26-20(16-10-8-14(2)9-11-16)24-25-21(26)28-13-19(27)23-18-7-5-6-17(22)15(18)3/h4-11H,1,12-13H2,2-3H3,(H,23,27)
InChIKey DWTBKEIYXRJPJN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14598
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: D98752; Labnumber: GRES-25864; SBI_ID: SBI-014601
Temperature 318 °C