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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
SpectraBase Compound ID JbCVNTROl4Z
InChI InChI=1S/C24H26N4O3S/c1-5-12-28-22(16-6-8-17(9-7-16)24(2,3)4)26-27-23(28)32-14-21(29)25-18-10-11-19-20(13-18)31-15-30-19/h5-11,13H,1,12,14-15H2,2-4H3,(H,25,29)
InChIKey HZEBKMLBILBVQH-UHFFFAOYSA-N
Mol Weight 450.56 g/mol
Molecular Formula C24H26N4O3S
Exact Mass 450.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AIn9SaeDj5i
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)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/C24H26N4O3S/c1-5-12-28-22(16-6-8-17(9-7-16)24(2,3)4)26-27-23(28)32-14-21(29)25-18-10-11-19-20(13-18)31-15-30-19/h5-11,13H,1,12,14-15H2,2-4H3,(H,25,29)
InChIKey HZEBKMLBILBVQH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4474
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: D99007; Labnumber: GRES-29994; SBI_ID: SBI-004476
Temperature 315 °C