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methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate
SpectraBase Compound ID JgWb36tcHho
InChI InChI=1S/C12H9F4NO2S/c1-19-10(18)11(13,12(14,15)16)20-9-6-17-8-5-3-2-4-7(8)9/h2-6,17H,1H3
InChIKey JDNJCEPNLOWAEZ-UHFFFAOYSA-N
Mol Weight 307.26 g/mol
Molecular Formula C12H9F4NO2S
Exact Mass 307.029012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FE2W2rghm33
Name propanoic acid, 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylthio)-, methylester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.029012358 u
Formula C12H9F4NO2S
InChI InChI=1S/C12H9F4NO2S/c1-19-10(18)11(13,12(14,15)16)20-9-6-17-8-5-3-2-4-7(8)9/h2-6,17H,1H3
InChIKey JDNJCEPNLOWAEZ-UHFFFAOYSA-N
Molecular Weight 307.263 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15511
Solvent DMSO-d6
Source Vendor ID: ZI/10037367; Lab Info: SIZ; Lab Number: SIZ-0417049