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ethyl 2-(allylamino)-4-({[3-cyano-4-(2-furyl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1,3-thiazole-5-carboxylate

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ethyl 2-(allylamino)-4-({[3-cyano-4-(2-furyl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1,3-thiazole-5-carboxylate
SpectraBase Compound ID InK8KeDVXYT
InChI InChI=1S/C21H17F3N4O3S2/c1-3-7-26-20-27-14(17(33-20)19(29)30-4-2)11-32-18-13(10-25)12(15-6-5-8-31-15)9-16(28-18)21(22,23)24/h3,5-6,8-9H,1,4,7,11H2,2H3,(H,26,27)
InChIKey RZFGJIANQPWKTI-UHFFFAOYSA-N
Mol Weight 494.51 g/mol
Molecular Formula C21H17F3N4O3S2
Exact Mass 494.069417 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 98IFcYOVfn4
Name ethyl 2-(allylamino)-4-({[3-cyano-4-(2-furyl)-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/C21H17F3N4O3S2/c1-3-7-26-20-27-14(17(33-20)19(29)30-4-2)11-32-18-13(10-25)12(15-6-5-8-31-15)9-16(28-18)21(22,23)24/h3,5-6,8-9H,1,4,7,11H2,2H3,(H,26,27)
InChIKey RZFGJIANQPWKTI-UHFFFAOYSA-N
NMR Offset 17.9116
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32677
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: 1901592; SBI_ID: SBI-032681
Temperature 303 °C