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3,3,3-Trifluoro-2-(1,3,5-trioxa-7-thia-S-indacen-6-ylidene)-propionic acid methyl ester

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

3,3,3-Trifluoro-2-(1,3,5-trioxa-7-thia-S-indacen-6-ylidene)-propionic acid methyl ester
SpectraBase Compound ID D6Jn2dnQNXi
InChI InChI=1S/C12H7F3O5S/c1-17-10(16)9(12(13,14)15)11-20-7-2-5-6(19-4-18-5)3-8(7)21-11/h2-3H,4H2,1H3/b11-9+
InChIKey GKOGIBVIGYQYIH-PKNBQFBNSA-N
Mol Weight 320.24 g/mol
Molecular Formula C12H7F3O5S
Exact Mass 319.996629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 29JowjfrLnV
Name propanoic acid, 2-[1,3]dioxolo[4,5-f][1,3]benzoxathiol-6-ylidene-3,3,3-trifluoro-, 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 319.996628983 u
Formula C12H7F3O5S
InChI InChI=1S/C12H7F3O5S/c1-17-10(16)9(12(13,14)15)11-20-7-2-5-6(19-4-18-5)3-8(7)21-11/h2-3H,4H2,1H3/b11-9+
InChIKey GKOGIBVIGYQYIH-PKNBQFBNSA-N
Molecular Weight 320.238 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15506
Solvent DMSO-d6
Source Vendor ID: ZI/10036658; Lab Info: SIZ; Lab Number: SIZ-0417015