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thieno[3,2-b]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-5-oxo-3-phenyl-7-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 9TF9yV0429Y
InChI InChI=1S/C21H14F3NO3S/c22-21(23,24)14-9-5-4-8-12(14)13-10-15(26)25-17-16(11-6-2-1-3-7-11)19(20(27)28)29-18(13)17/h1-9,13H,10H2,(H,25,26)(H,27,28)
InChIKey NQXCFQNWICODHT-UHFFFAOYSA-N
Mol Weight 417.4 g/mol
Molecular Formula C21H14F3NO3S
Exact Mass 417.064649 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IPUwktfHDiI
Name thieno[3,2-b]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-5-oxo-3-phenyl-7-[2-(trifluoromethyl)phenyl]-
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/C21H14F3NO3S/c22-21(23,24)14-9-5-4-8-12(14)13-10-15(26)25-17-16(11-6-2-1-3-7-11)19(20(27)28)29-18(13)17/h1-9,13H,10H2,(H,25,26)(H,27,28)
InChIKey NQXCFQNWICODHT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4654
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: NMR/16302052; Labnumber: 126