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methyl (2Z)-3-fluoro-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-(trifluoromethyl)-2-propenoate
SpectraBase Compound ID 4Z1lmnQAZ7l
InChI InChI=1S/C14H12F4O4S/c1-21-9-5-3-8(4-6-9)10(19)7-23-12(15)11(13(20)22-2)14(16,17)18/h3-6H,7H2,1-2H3/b12-11-
InChIKey XGUGMFVSWHUIEX-QXMHVHEDSA-N
Mol Weight 352.3 g/mol
Molecular Formula C14H12F4O4S
Exact Mass 352.039243 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FAthh4IEUvb
Name methyl (2Z)-3-fluoro-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-(trifluoromethyl)-2-propenoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H12F4O4S/c1-21-9-5-3-8(4-6-9)10(19)7-23-12(15)11(13(20)22-2)14(16,17)18/h3-6H,7H2,1-2H3/b12-11-
InChIKey XGUGMFVSWHUIEX-QXMHVHEDSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1327
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C95990; Labnumber: AKSIN-0089; SBI_ID: SBI-001329
Synonyms methyl 3-fluoro-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-(trifluoromethyl)-2-propenoate
Temperature 315 °C