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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
SpectraBase Compound ID Ic1f9KxbTOw
InChI InChI=1S/C22H24N4O3S/c1-4-14-26-21(16-10-12-17(28-3)13-11-16)24-25-22(26)30-15-20(27)23-18-8-6-7-9-19(18)29-5-2/h4,6-13H,1,5,14-15H2,2-3H3,(H,23,27)
InChIKey KGWKWZUEHMYQJI-UHFFFAOYSA-N
Mol Weight 424.52 g/mol
Molecular Formula C22H24N4O3S
Exact Mass 424.156912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1JC137fbYG0
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)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/C22H24N4O3S/c1-4-14-26-21(16-10-12-17(28-3)13-11-16)24-25-22(26)30-15-20(27)23-18-8-6-7-9-19(18)29-5-2/h4,6-13H,1,5,14-15H2,2-3H3,(H,23,27)
InChIKey KGWKWZUEHMYQJI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14395
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: D98374; Labnumber: GRES-20034; SBI_ID: SBI-014398
Temperature 308 °C