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3,3-Difluoro-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3,3-Difluoro-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID LbdMkziI3Ce
InChI InChI=1S/C11H9F5O5S/c1-4-3-5(17)6(8(18)21-4)22-11(15,16)7(9(19)20-2)10(12,13)14/h3,7,17H,1-2H3
InChIKey BIEJSUXKRKPABM-UHFFFAOYSA-N
Mol Weight 348.24 g/mol
Molecular Formula C11H9F5O5S
Exact Mass 348.009085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 20UfOMnFCnQ
Name propanoic acid, 2-[difluoro[(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)thio]methyl]-3,3,3-trifluoro-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.009085374 u
Formula C11H9F5O5S
InChI InChI=1S/C11H9F5O5S/c1-4-3-5(17)6(8(18)21-4)22-11(15,16)7(9(19)20-2)10(12,13)14/h3,7,17H,1-2H3
InChIKey BIEJSUXKRKPABM-UHFFFAOYSA-N
Molecular Weight 348.240 g/mol
NMR Offset 17.9883
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17405
Solvent CDCl3
Source Vendor ID: ZI/10039853; Lab Info: SIZ; Lab Number: SIZ-0417028