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3-(5-tert-Butyl-2-oxo-cyclohexylsulfanyl)-3-fluoro-2-trifluoromethyl-acrylic acid methyl ester
SpectraBase Compound ID 1RQz3PfGlbq
InChI InChI=1S/C15H20F4O3S/c1-14(2,3)8-5-6-9(20)10(7-8)23-12(16)11(13(21)22-4)15(17,18)19/h8,10H,5-7H2,1-4H3/b12-11+
InChIKey PXGACNOWPAPDJF-VAWYXSNFSA-N
Mol Weight 356.38 g/mol
Molecular Formula C15H20F4O3S
Exact Mass 356.106928 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AoQfPv5F0mi
Name 2-propenoic acid, 3-[[5-(1,1-dimethylethyl)-2-oxocyclohexyl]thio]-3-fluoro-2-(trifluoromethyl)-, methyl 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 356.106928327 u
Formula C15H20F4O3S
InChI InChI=1S/C15H20F4O3S/c1-14(2,3)8-5-6-9(20)10(7-8)23-12(16)11(13(21)22-4)15(17,18)19/h8,10H,5-7H2,1-4H3/b12-11+
InChIKey PXGACNOWPAPDJF-VAWYXSNFSA-N
Molecular Weight 356.376 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17403
Solvent DMSO-d6
Source Vendor ID: ZI/10039294; Lab Info: SIZ; Lab Number: SIZ-0417012