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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
SpectraBase Compound ID E2wyjpQbzrP
InChI InChI=1S/C20H18F2N4O2S/c1-2-10-26-18(12-28-15-6-4-3-5-7-15)24-25-20(26)29-13-19(27)23-17-9-8-14(21)11-16(17)22/h2-9,11H,1,10,12-13H2,(H,23,27)
InChIKey JLWLJRZOYJMULY-UHFFFAOYSA-N
Mol Weight 416.45 g/mol
Molecular Formula C20H18F2N4O2S
Exact Mass 416.111853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8d6PIse1KlU
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-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/C20H18F2N4O2S/c1-2-10-26-18(12-28-15-6-4-3-5-7-15)24-25-20(26)29-13-19(27)23-17-9-8-14(21)11-16(17)22/h2-9,11H,1,10,12-13H2,(H,23,27)
InChIKey JLWLJRZOYJMULY-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4734
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: UZI/8130825; UBI_ID: UBI-004735
Temperature 313 °C