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2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
SpectraBase Compound ID 8nB37dnkaGq
InChI InChI=1S/C21H22N4O2S/c1-4-12-25-20(16-9-7-8-15(2)13-16)23-24-21(25)28-14-19(26)22-17-10-5-6-11-18(17)27-3/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)
InChIKey APDKWJIHVBYFKU-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 2cZVXx4k9bK
Name 2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)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/c1-4-12-25-20(16-9-7-8-15(2)13-16)23-24-21(25)28-14-19(26)22-17-10-5-6-11-18(17)27-3/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)
InChIKey APDKWJIHVBYFKU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11309
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: E06613; Labnumber: GRES-25978; SBI_ID: SBI-011312
Temperature 308 °C