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

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2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
SpectraBase Compound ID HV4MiTH08Fb
InChI InChI=1S/C21H22N4O2S/c1-4-13-25-20(17-7-5-6-8-18(17)27-3)23-24-21(25)28-14-19(26)22-16-11-9-15(2)10-12-16/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey DXOJVKCQOLLRGK-UHFFFAOYSA-N
Mol Weight 394.49 g/mol
Molecular Formula C21H22N4O2S
Exact Mass 394.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJAOtX30QOv
Name 2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)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/C21H22N4O2S/c1-4-13-25-20(17-7-5-6-8-18(17)27-3)23-24-21(25)28-14-19(26)22-16-11-9-15(2)10-12-16/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey DXOJVKCQOLLRGK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11515
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: E06437; Labnumber: GRES-22553; SBI_ID: SBI-011518
Temperature 308 °C