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methyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(phenylacetyl)amino]propanoate
SpectraBase Compound ID K7bdvI34LKe
InChI InChI=1S/C20H20F3N3O3S/c1-4-14-12(2)30-17(15(14)11-24)26-19(18(28)29-3,20(21,22)23)25-16(27)10-13-8-6-5-7-9-13/h5-9,26H,4,10H2,1-3H3,(H,25,27)
InChIKey AKWQNHIXMIENFW-UHFFFAOYSA-N
Mol Weight 439.45 g/mol
Molecular Formula C20H20F3N3O3S
Exact Mass 439.117747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JPuI1VFGBKa
Name methyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(phenylacetyl)amino]propanoate
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/C20H20F3N3O3S/c1-4-14-12(2)30-17(15(14)11-24)26-19(18(28)29-3,20(21,22)23)25-16(27)10-13-8-6-5-7-9-13/h5-9,26H,4,10H2,1-3H3,(H,25,27)
InChIKey AKWQNHIXMIENFW-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_463
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: C27177; Labnumber: SOK-1106; SBI_ID: SBI-000465
Temperature 308 °C