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

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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID GxpojVGeLpI
InChI InChI=1S/C25H30N4O3S/c1-7-12-29-23(17-8-10-18(11-9-17)25(2,3)4)27-28-24(29)33-16-22(30)26-19-13-20(31-5)15-21(14-19)32-6/h7-11,13-15H,1,12,16H2,2-6H3,(H,26,30)
InChIKey MCIQRPKEQBYPAU-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C25H30N4O3S
Exact Mass 466.203862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dahb0yOYRRY
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)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/C25H30N4O3S/c1-7-12-29-23(17-8-10-18(11-9-17)25(2,3)4)27-28-24(29)33-16-22(30)26-19-13-20(31-5)15-21(14-19)32-6/h7-11,13-15H,1,12,16H2,2-6H3,(H,26,30)
InChIKey MCIQRPKEQBYPAU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14597
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: D98751; Labnumber: GRES-25849; SBI_ID: SBI-014600
Temperature 318 °C