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methyl 4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydro-3-thiophenecarboxylate
SpectraBase Compound ID caJaG7gHmf
InChI InChI=1S/C13H10F3NO3S/c1-20-12(19)10-9(18)6-21-11(10)17-8-4-2-3-7(5-8)13(14,15)16/h2-5,17H,6H2,1H3
InChIKey ZTCZWWJNGYGXSR-UHFFFAOYSA-N
Mol Weight 317.28 g/mol
Molecular Formula C13H10F3NO3S
Exact Mass 317.033349 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8RrzV2nuI2z
Name methyl 4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydro-3-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/C13H10F3NO3S/c1-20-12(19)10-9(18)6-21-11(10)17-8-4-2-3-7(5-8)13(14,15)16/h2-5,17H,6H2,1H3
InChIKey ZTCZWWJNGYGXSR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10773
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: 1004077; UBI_ID: UBI-010776
Temperature 313 °C