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N-isopropyl-2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

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N-isopropyl-2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SpectraBase Compound ID Gmoiqg8MN0a
InChI InChI=1S/C28H30N4OS2/c1-20(2)31(23-10-6-5-7-11-23)27(33)19-35-28-30-29-26(18-34-25-15-13-21(3)14-16-25)32(28)24-12-8-9-22(4)17-24/h5-17,20H,18-19H2,1-4H3
InChIKey HQGVGTDPXPNITA-UHFFFAOYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C28H30N4OS2
Exact Mass 502.186104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FNV9mTTiEh8
Name N-isopropyl-2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
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/C28H30N4OS2/c1-20(2)31(23-10-6-5-7-11-23)27(33)19-35-28-30-29-26(18-34-25-15-13-21(3)14-16-25)32(28)24-12-8-9-22(4)17-24/h5-17,20H,18-19H2,1-4H3
InChIKey HQGVGTDPXPNITA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6711
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/11261949; Labnumber: 1529; IOH_ID: IOH-006712