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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
SpectraBase Compound ID 9XF8LpxKDja
InChI InChI=1S/C22H26N4OS/c1-15-7-6-8-18(13-15)23-19(27)14-28-21-25-24-20(26(21)5)16-9-11-17(12-10-16)22(2,3)4/h6-13H,14H2,1-5H3,(H,23,27)
InChIKey CWQRXOHYZNFTDM-UHFFFAOYSA-N
Mol Weight 394.54 g/mol
Molecular Formula C22H26N4OS
Exact Mass 394.182733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I6OQ9ZYoD0o
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-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/C22H26N4OS/c1-15-7-6-8-18(13-15)23-19(27)14-28-21-25-24-20(26(21)5)16-9-11-17(12-10-16)22(2,3)4/h6-13H,14H2,1-5H3,(H,23,27)
InChIKey CWQRXOHYZNFTDM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14587
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: D98737; Labnumber: GRES-25695; SBI_ID: SBI-014590
Temperature 318 °C