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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
SpectraBase Compound ID JcEz6MjwqCk
InChI InChI=1S/C23H25ClN4OS/c1-5-13-28-21(16-9-11-17(12-10-16)23(2,3)4)26-27-22(28)30-15-20(29)25-19-8-6-7-18(24)14-19/h5-12,14H,1,13,15H2,2-4H3,(H,25,29)
InChIKey FTKCQGUKEQWPBA-UHFFFAOYSA-N
Mol Weight 440.99 g/mol
Molecular Formula C23H25ClN4OS
Exact Mass 440.14376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KtJ5UrLe6vH
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)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/C23H25ClN4OS/c1-5-13-28-21(16-9-11-17(12-10-16)23(2,3)4)26-27-22(28)30-15-20(29)25-19-8-6-7-18(24)14-19/h5-12,14H,1,13,15H2,2-4H3,(H,25,29)
InChIKey FTKCQGUKEQWPBA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4105
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: D98570; Labnumber: GRES-22888; SBI_ID: SBI-004107
Temperature 318 °C