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Difluoro-(2-methyl-1H-indol-3-ylsulfanyl)-acetic acid methyl ester
SpectraBase Compound ID KSunMZJSVqc
InChI InChI=1S/C12H11F2NO2S/c1-7-10(18-12(13,14)11(16)17-2)8-5-3-4-6-9(8)15-7/h3-6,15H,1-2H3
InChIKey SXPRPSIWSHFDTE-UHFFFAOYSA-N
Mol Weight 271.28 g/mol
Molecular Formula C12H11F2NO2S
Exact Mass 271.047856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 51GkwnIrewF
Name acetic acid, difluoro[(2-methyl-1H-indol-3-yl)thio]-, 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 271.047856096 u
Formula C12H11F2NO2S
InChI InChI=1S/C12H11F2NO2S/c1-7-10(18-12(13,14)11(16)17-2)8-5-3-4-6-9(8)15-7/h3-6,15H,1-2H3
InChIKey SXPRPSIWSHFDTE-UHFFFAOYSA-N
Molecular Weight 271.282 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15540
Solvent DMSO-d6
Source Vendor ID: ZI/10039638; Lab Info: SIZ; Lab Number: SIZ-0417054