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ethyl 2-(allylamino)-4-({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1,3-thiazole-5-carboxylate
SpectraBase Compound ID 3tZpgNeKLbu
InChI InChI=1S/C18H17F3N4O2S2/c1-4-6-23-17-24-12(14(29-17)16(26)27-5-2)9-28-15-11(8-22)10(3)7-13(25-15)18(19,20)21/h4,7H,1,5-6,9H2,2-3H3,(H,23,24)
InChIKey PNYKGGMSLCSZDD-UHFFFAOYSA-N
Mol Weight 442.48 g/mol
Molecular Formula C18H17F3N4O2S2
Exact Mass 442.074503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A2K2e7RRLpb
Name ethyl 2-(allylamino)-4-({[3-cyano-4-methyl-6-(trifluoromethyl)-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/C18H17F3N4O2S2/c1-4-6-23-17-24-12(14(29-17)16(26)27-5-2)9-28-15-11(8-22)10(3)7-13(25-15)18(19,20)21/h4,7H,1,5-6,9H2,2-3H3,(H,23,24)
InChIKey PNYKGGMSLCSZDD-UHFFFAOYSA-N
NMR Offset 17.9117
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32657
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: 1896886; SBI_ID: SBI-032661
Temperature 303 °C