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N-(tert-butyl)-2-[(3-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetamide
SpectraBase Compound ID ESfWap0fgcd
InChI InChI=1S/C20H29N5O2S2/c1-19(2,3)22-15(26)12-28-17-21-18(29-13-16(27)23-20(4,5)6)25(24-17)14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3,(H,22,26)(H,23,27)
InChIKey CLTIBTQOGVSLJE-UHFFFAOYSA-N
Mol Weight 435.61 g/mol
Molecular Formula C20H29N5O2S2
Exact Mass 435.176268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Ttx7yUnj9B
Name N-(tert-butyl)-2-[(3-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]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/C20H29N5O2S2/c1-19(2,3)22-15(26)12-28-17-21-18(29-13-16(27)23-20(4,5)6)25(24-17)14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3,(H,22,26)(H,23,27)
InChIKey CLTIBTQOGVSLJE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5826
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: NMR/11231563; Labnumber: LP-2110507; IOH_ID: IOH-005827