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2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
SpectraBase Compound ID G39UWW8hoFi
InChI InChI=1S/C20H19F2N5OS/c1-2-10-27-18(12-23-15-6-4-3-5-7-15)25-26-20(27)29-13-19(28)24-17-9-8-14(21)11-16(17)22/h2-9,11,23H,1,10,12-13H2,(H,24,28)
InChIKey FSPYJZSBRBTQRJ-UHFFFAOYSA-N
Mol Weight 415.46 g/mol
Molecular Formula C20H19F2N5OS
Exact Mass 415.127838 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IcaEZo2pn2T
Name 2-{[4-allyl-5-(anilinomethyl)-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/C20H19F2N5OS/c1-2-10-27-18(12-23-15-6-4-3-5-7-15)25-26-20(27)29-13-19(28)24-17-9-8-14(21)11-16(17)22/h2-9,11,23H,1,10,12-13H2,(H,24,28)
InChIKey FSPYJZSBRBTQRJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4670
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/8124371; UBI_ID: UBI-004671
Temperature 308 °C