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3,3,3-Trifluoro-2-(4-hydroxy-3-methyl-phenylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3,3,3-Trifluoro-2-(4-hydroxy-3-methyl-phenylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID EVqvf1jp9PI
InChI InChI=1S/C12H10F6O3S/c1-6-5-7(3-4-8(6)19)22-10(9(20)21-2,11(13,14)15)12(16,17)18/h3-5,19H,1-2H3
InChIKey PGOPYCDXZDVAOG-UHFFFAOYSA-N
Mol Weight 348.26 g/mol
Molecular Formula C12H10F6O3S
Exact Mass 348.025484 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Yi0IZ3aMZ8
Name propanoic acid, 3,3,3-trifluoro-2-[(4-hydroxy-3-methylphenyl)thio]-2-(trifluoromethyl)-, 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 348.025484331 u
Formula C12H10F6O3S
InChI InChI=1S/C12H10F6O3S/c1-6-5-7(3-4-8(6)19)22-10(9(20)21-2,11(13,14)15)12(16,17)18/h3-5,19H,1-2H3
InChIKey PGOPYCDXZDVAOG-UHFFFAOYSA-N
Molecular Weight 348.259 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15513
Solvent DMSO-d6
Source Vendor ID: ZI/10037608; Lab Info: SIZ; Lab Number: SIZ-0417055