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N-[3-(acetylamino)phenyl]-2-{[4-phenyl-5-(3-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID IGyerjljSK6
InChI InChI=1S/C26H26N6O2S/c1-18-8-6-9-20(14-18)27-16-24-30-31-26(32(24)23-12-4-3-5-13-23)35-17-25(34)29-22-11-7-10-21(15-22)28-19(2)33/h3-15,27H,16-17H2,1-2H3,(H,28,33)(H,29,34)
InChIKey HPHLMPJFQYMPKW-UHFFFAOYSA-N
Mol Weight 486.59 g/mol
Molecular Formula C26H26N6O2S
Exact Mass 486.183795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FFKTgSxzJwv
Name N-[3-(acetylamino)phenyl]-2-{[4-phenyl-5-(3-toluidinomethyl)-4H-1,2,4-triazol-3-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/C26H26N6O2S/c1-18-8-6-9-20(14-18)27-16-24-30-31-26(32(24)23-12-4-3-5-13-23)35-17-25(34)29-22-11-7-10-21(15-22)28-19(2)33/h3-15,27H,16-17H2,1-2H3,(H,28,33)(H,29,34)
InChIKey HPHLMPJFQYMPKW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18105
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: UZI/8064952; Labnumber: STA-0005476; UZI_ID: UZI-018112
Temperature 308 °C