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3,3,3-Trifluoro-2-(1H-indol-3-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester

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

3,3,3-Trifluoro-2-(1H-indol-3-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID 6GULVEvSngM
InChI InChI=1S/C13H9F6NO2S/c1-22-10(21)11(12(14,15)16,13(17,18)19)23-9-6-20-8-5-3-2-4-7(8)9/h2-6,20H,1H3
InChIKey DYTMEBSAVISOHR-UHFFFAOYSA-N
Mol Weight 357.27 g/mol
Molecular Formula C13H9F6NO2S
Exact Mass 357.025819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 20EQhNHzVAU
Name propanoic acid, 3,3,3-trifluoro-2-(1H-indol-3-ylthio)-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 357.025818684 u
Formula C13H9F6NO2S
InChI InChI=1S/C13H9F6NO2S/c1-22-10(21)11(12(14,15)16,13(17,18)19)23-9-6-20-8-5-3-2-4-7(8)9/h2-6,20H,1H3
InChIKey DYTMEBSAVISOHR-UHFFFAOYSA-N
Molecular Weight 357.270 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15541
Solvent DMSO-d6
Source Vendor ID: ZI/10039672; Lab Info: SIZ; Lab Number: SIZ-0417050