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

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2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
SpectraBase Compound ID EdOJ7GDnmQE
InChI InChI=1S/C21H22N4O2S/c1-4-12-25-20(16-10-8-15(2)9-11-16)23-24-21(25)28-14-19(26)22-17-6-5-7-18(13-17)27-3/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)
InChIKey OVMBOJOOCJEXLY-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 91ih7wZpK1z
Name 2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-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(16-10-8-15(2)9-11-16)23-24-21(25)28-14-19(26)22-17-6-5-7-18(13-17)27-3/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)
InChIKey OVMBOJOOCJEXLY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14299
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: D98096; Labnumber: GRES-15739; SBI_ID: SBI-014302
Temperature 308 °C