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ethyl 2-(butylamino)-4-({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1,3-thiazole-5-carboxylate
SpectraBase Compound ID I85rvhhCJdc
InChI InChI=1S/C19H21F3N4O2S2/c1-4-6-7-24-18-25-13(15(30-18)17(27)28-5-2)10-29-16-12(9-23)11(3)8-14(26-16)19(20,21)22/h8H,4-7,10H2,1-3H3,(H,24,25)
InChIKey BIQVWAHKUAAGFC-UHFFFAOYSA-N
Mol Weight 458.52 g/mol
Molecular Formula C19H21F3N4O2S2
Exact Mass 458.105803 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID dd78MWs3Dw
Name ethyl 2-(butylamino)-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/C19H21F3N4O2S2/c1-4-6-7-24-18-25-13(15(30-18)17(27)28-5-2)10-29-16-12(9-23)11(3)8-14(26-16)19(20,21)22/h8H,4-7,10H2,1-3H3,(H,24,25)
InChIKey BIQVWAHKUAAGFC-UHFFFAOYSA-N
NMR Offset 17.9118
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32585
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: 1875013; SBI_ID: SBI-032589
Temperature 303 °C