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isopropyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate
SpectraBase Compound ID 85gEIlUaUiK
InChI InChI=1S/C12H11F3N2O3S/c1-5(2)20-10(18)8-6(3)7(4-16)9(21-8)17-11(19)12(13,14)15/h5H,1-3H3,(H,17,19)
InChIKey BYPKPZKZLVJFNB-UHFFFAOYSA-N
Mol Weight 320.29 g/mol
Molecular Formula C12H11F3N2O3S
Exact Mass 320.044248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5lKklHmHooF
Name isopropyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate
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/C12H11F3N2O3S/c1-5(2)20-10(18)8-6(3)7(4-16)9(21-8)17-11(19)12(13,14)15/h5H,1-3H3,(H,17,19)
InChIKey BYPKPZKZLVJFNB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11311
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: UZI/9086721; UBI_ID: UBI-011314
Temperature 318 °C