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2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID 3FzRg3guH3x
InChI InChI=1S/C23H27ClN4OS/c1-6-28-21(16-7-9-17(10-8-16)23(3,4)5)26-27-22(28)30-14-20(29)25-19-12-11-18(24)13-15(19)2/h7-13H,6,14H2,1-5H3,(H,25,29)
InChIKey DCYZXNVURMEXNE-UHFFFAOYSA-N
Mol Weight 443.01 g/mol
Molecular Formula C23H27ClN4OS
Exact Mass 442.15941 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3MHKBo7TKrk
Name 2-{[5-(4-tert-butylphenyl)-4-ethyl-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/C23H27ClN4OS/c1-6-28-21(16-7-9-17(10-8-16)23(3,4)5)26-27-22(28)30-14-20(29)25-19-12-11-18(24)13-15(19)2/h7-13H,6,14H2,1-5H3,(H,25,29)
InChIKey DCYZXNVURMEXNE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14268
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: D98039; Labnumber: GRES-14728; SBI_ID: SBI-014271
Temperature 308 °C