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methyl 2-(acetylamino)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoate
SpectraBase Compound ID 9nKFoBsIxr0
InChI InChI=1S/C14H16F3N3O3S/c1-5-9-7(2)24-11(10(9)6-18)20-13(12(22)23-4,14(15,16)17)19-8(3)21/h20H,5H2,1-4H3,(H,19,21)
InChIKey HXBXSQSAZNYHCQ-UHFFFAOYSA-N
Mol Weight 363.36 g/mol
Molecular Formula C14H16F3N3O3S
Exact Mass 363.086447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 88U3bibuR16
Name methyl 2-(acetylamino)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoate
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/C14H16F3N3O3S/c1-5-9-7(2)24-11(10(9)6-18)20-13(12(22)23-4,14(15,16)17)19-8(3)21/h20H,5H2,1-4H3,(H,19,21)
InChIKey HXBXSQSAZNYHCQ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_423
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: C27124; Labnumber: SOK-1041; SBI_ID: SBI-000425
Temperature 308 °C