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Ethyl (2E)-3-fluoro-3-[(2-oxopropyl)sulfanyl]-2-(trifluoromethyl)-2-propenoate
SpectraBase Compound ID JtPNhalhacK
InChI InChI=1S/C9H10F4O3S/c1-3-16-8(15)6(9(11,12)13)7(10)17-4-5(2)14/h3-4H2,1-2H3/b7-6+
InChIKey WKXPFHFGFOCIQC-VOTSOKGWSA-N
Mol Weight 274.23 g/mol
Molecular Formula C9H10F4O3S
Exact Mass 274.028678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Ijw4EaF26E
Name 2-propenoic acid, 3-fluoro-3-[(2-oxopropyl)thio]-2-(trifluoromethyl)-,ethyl ester, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.028678005 u
Formula C9H10F4O3S
InChI InChI=1S/C9H10F4O3S/c1-3-16-8(15)6(9(11,12)13)7(10)17-4-5(2)14/h3-4H2,1-2H3/b7-6+
InChIKey WKXPFHFGFOCIQC-VOTSOKGWSA-N
Molecular Weight 274.230 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15532
Solvent DMSO-d6
Source Vendor ID: ZI/10039248; Lab Info: SIZ; Lab Number: SIZ-0417009