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N-(1,3-benzodioxol-5-yl)-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 8Dv3mLf9hkr
InChI InChI=1S/C28H28N4O3S/c1-18-5-12-22(13-6-18)32-26(19-7-9-20(10-8-19)28(2,3)4)30-31-27(32)36-16-25(33)29-21-11-14-23-24(15-21)35-17-34-23/h5-15H,16-17H2,1-4H3,(H,29,33)
InChIKey PKHWRTSSGXUGKQ-UHFFFAOYSA-N
Mol Weight 500.62 g/mol
Molecular Formula C28H28N4O3S
Exact Mass 500.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I1l20hSmhDL
Name N-(1,3-benzodioxol-5-yl)-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-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/C28H28N4O3S/c1-18-5-12-22(13-6-18)32-26(19-7-9-20(10-8-19)28(2,3)4)30-31-27(32)36-16-25(33)29-21-11-14-23-24(15-21)35-17-34-23/h5-15H,16-17H2,1-4H3,(H,29,33)
InChIKey PKHWRTSSGXUGKQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3857
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: D98148; Labnumber: GRES-16505; SBI_ID: SBI-003859
Temperature 318 °C