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3-Fluoro-3-(2-phenyl-1H-indol-3-ylsulfanyl)-2-trifluoromethyl-acrylic acid methyl ester

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

3-Fluoro-3-(2-phenyl-1H-indol-3-ylsulfanyl)-2-trifluoromethyl-acrylic acid methyl ester
SpectraBase Compound ID BReT7RhB0ei
InChI InChI=1S/C19H13F4NO2S/c1-26-18(25)14(19(21,22)23)17(20)27-16-12-9-5-6-10-13(12)24-15(16)11-7-3-2-4-8-11/h2-10,24H,1H3/b17-14+
InChIKey BAUYQQFSOGHOLU-SAPNQHFASA-N
Mol Weight 395.37 g/mol
Molecular Formula C19H13F4NO2S
Exact Mass 395.060312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H50q6qBgeJ7
Name methyl (2E)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)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/C19H13F4NO2S/c1-26-18(25)14(19(21,22)23)17(20)27-16-12-9-5-6-10-13(12)24-15(16)11-7-3-2-4-8-11/h2-10,24H,1H3/b17-14+
InChIKey BAUYQQFSOGHOLU-SAPNQHFASA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_300
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: C27583; Labnumber: AKSIN-0026; SBI_ID: SBI-000302
Synonyms methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)-2-propenoate
Temperature 306 °C