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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID G7oEPANpWcs
InChI InChI=1S/C22H25ClN4OS/c1-14-12-17(23)10-11-18(14)24-19(28)13-29-21-26-25-20(27(21)5)15-6-8-16(9-7-15)22(2,3)4/h6-12H,13H2,1-5H3,(H,24,28)
InChIKey DQEHDVCYRHCVJM-UHFFFAOYSA-N
Mol Weight 428.98 g/mol
Molecular Formula C22H25ClN4OS
Exact Mass 428.14376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 40M1484sqT4
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-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/C22H25ClN4OS/c1-14-12-17(23)10-11-18(14)24-19(28)13-29-21-26-25-20(27(21)5)15-6-8-16(9-7-15)22(2,3)4/h6-12H,13H2,1-5H3,(H,24,28)
InChIKey DQEHDVCYRHCVJM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14556
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: D98690; Labnumber: GRES-24965; SBI_ID: SBI-014559
Temperature 308 °C