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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 6UtBd41wE8I
Name 2-propenoic acid, 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)thio]-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 395.060312487 u
Formula C19H13F4NO2S
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
Molecular Weight 395.372 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15518
Solvent DMSO-d6
Source Vendor ID: ZI/10038066; Lab Info: SIZ; Lab Number: SIZ-0417026