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2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
SpectraBase Compound ID Ct4PsiBYqmt
InChI InChI=1S/C20H18F2N4OS/c1-3-9-26-19(14-6-4-5-13(2)10-14)24-25-20(26)28-12-18(27)23-15-7-8-16(21)17(22)11-15/h3-8,10-11H,1,9,12H2,2H3,(H,23,27)
InChIKey ZBRGTVHPDIHDCK-UHFFFAOYSA-N
Mol Weight 400.45 g/mol
Molecular Formula C20H18F2N4OS
Exact Mass 400.116939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1UPS9isOljC
Name 2-{[4-allyl-5-(3-methylphenyl)-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/C20H18F2N4OS/c1-3-9-26-19(14-6-4-5-13(2)10-14)24-25-20(26)28-12-18(27)23-15-7-8-16(21)17(22)11-15/h3-8,10-11H,1,9,12H2,2H3,(H,23,27)
InChIKey ZBRGTVHPDIHDCK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11124
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: E06121; Labnumber: GRES-16408; SBI_ID: SBI-011127
Temperature 306 °C