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ethyl 2-(allylamino)-4-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-1,3-thiazole-5-carboxylate
SpectraBase Compound ID 9qjuIF3VPLo
InChI InChI=1S/C18H18F2N4O2S2/c1-4-6-22-18-24-13(14(28-18)17(25)26-5-2)9-27-16-11(8-21)10(3)7-12(23-16)15(19)20/h4,7,15H,1,5-6,9H2,2-3H3,(H,22,24)
InChIKey MPCQTFXKFRADTQ-UHFFFAOYSA-N
Mol Weight 424.48 g/mol
Molecular Formula C18H18F2N4O2S2
Exact Mass 424.083925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FNRbOwmnw29
Name ethyl 2-(allylamino)-4-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-1,3-thiazole-5-carboxylate
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/C18H18F2N4O2S2/c1-4-6-22-18-24-13(14(28-18)17(25)26-5-2)9-27-16-11(8-21)10(3)7-12(23-16)15(19)20/h4,7,15H,1,5-6,9H2,2-3H3,(H,22,24)
InChIKey MPCQTFXKFRADTQ-UHFFFAOYSA-N
NMR Offset 15.3168
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33522
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: 1967888; SBI_ID: SBI-033526
Temperature 297 °C