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Benzoic acid 3-methyl-4-(1,3,3,3-tetrafluoro-2-methoxycarbonyl-propenylsulfanyl)-phenyl ester

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

Benzoic acid 3-methyl-4-(1,3,3,3-tetrafluoro-2-methoxycarbonyl-propenylsulfanyl)-phenyl ester
SpectraBase Compound ID 8MPpbMSOE8Z
InChI InChI=1S/C19H14F4O4S/c1-11-10-13(27-17(24)12-6-4-3-5-7-12)8-9-14(11)28-16(20)15(18(25)26-2)19(21,22)23/h3-10H,1-2H3/b16-15+
InChIKey DVPPRUYHTYYJMH-FOCLMDBBSA-N
Mol Weight 414.37 g/mol
Molecular Formula C19H14F4O4S
Exact Mass 414.054893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Vp1A8IwqeX
Name 2-propenoic acid, 3-[[4-(benzoyloxy)-2-methylphenyl]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 414.054892753 u
Formula C19H14F4O4S
InChI InChI=1S/C19H14F4O4S/c1-11-10-13(27-17(24)12-6-4-3-5-7-12)8-9-14(11)28-16(20)15(18(25)26-2)19(21,22)23/h3-10H,1-2H3/b16-15+
InChIKey DVPPRUYHTYYJMH-FOCLMDBBSA-N
Molecular Weight 414.371 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15535
Solvent DMSO-d6
Source Vendor ID: ZI/10039396; Lab Info: SIZ; Lab Number: SIZ-0417024