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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
SpectraBase Compound ID 2sqDSLrc9gY
InChI InChI=1S/C23H24F2N4OS/c1-5-12-29-21(15-6-8-16(9-7-15)23(2,3)4)27-28-22(29)31-14-20(30)26-17-10-11-18(24)19(25)13-17/h5-11,13H,1,12,14H2,2-4H3,(H,26,30)
InChIKey BZTDJGSCAOITQX-UHFFFAOYSA-N
Mol Weight 442.53 g/mol
Molecular Formula C23H24F2N4OS
Exact Mass 442.163889 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5dIZv7cgfdv
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)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/C23H24F2N4OS/c1-5-12-29-21(15-6-8-16(9-7-15)23(2,3)4)27-28-22(29)31-14-20(30)26-17-10-11-18(24)19(25)13-17/h5-11,13H,1,12,14H2,2-4H3,(H,26,30)
InChIKey BZTDJGSCAOITQX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14545
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: D98672; Labnumber: GRES-24647; SBI_ID: SBI-014548
Temperature 308 °C