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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
SpectraBase Compound ID EmVpGs4oOEQ
InChI InChI=1S/C22H24N4O2S/c1-4-14-26-21(17-8-12-19(28-3)13-9-17)24-25-22(26)29-15-20(27)23-18-10-6-16(5-2)7-11-18/h4,6-13H,1,5,14-15H2,2-3H3,(H,23,27)
InChIKey XPEJZEOTJJODRP-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C22H24N4O2S
Exact Mass 408.161997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LOXNWi3CqQi
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)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/C22H24N4O2S/c1-4-14-26-21(17-8-12-19(28-3)13-9-17)24-25-22(26)29-15-20(27)23-18-10-6-16(5-2)7-11-18/h4,6-13H,1,5,14-15H2,2-3H3,(H,23,27)
InChIKey XPEJZEOTJJODRP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14611
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: D98776; Labnumber: GRES-26148; SBI_ID: SBI-014614
Temperature 318 °C