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N-(2-ethyl-6-methylphenyl)-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 71MFdF1n0ul
InChI InChI=1S/C27H28N4OS/c1-5-21-10-7-9-20(4)25(21)28-24(32)17-33-27-30-29-26(22-11-6-8-19(3)16-22)31(27)23-14-12-18(2)13-15-23/h6-16H,5,17H2,1-4H3,(H,28,32)
InChIKey PEAQVYFPTPKJII-UHFFFAOYSA-N
Mol Weight 456.61 g/mol
Molecular Formula C27H28N4OS
Exact Mass 456.198383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4aT3kmGREvC
Name N-(2-ethyl-6-methylphenyl)-2-{[5-(3-methylphenyl)-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/C27H28N4OS/c1-5-21-10-7-9-20(4)25(21)28-24(32)17-33-27-30-29-26(22-11-6-8-19(3)16-22)31(27)23-14-12-18(2)13-15-23/h6-16H,5,17H2,1-4H3,(H,28,32)
InChIKey PEAQVYFPTPKJII-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11139
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: E06140; Labnumber: GRES-16928; SBI_ID: SBI-011142
Temperature 306 °C