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ethyl (2E)-3-fluoro-3-[(2-oxocyclopentyl)sulfanyl]-2-(trifluoromethyl)-2-propenoate
SpectraBase Compound ID 1ecE4rwoiw0
InChI InChI=1S/C11H12F4O3S/c1-2-18-10(17)8(11(13,14)15)9(12)19-7-5-3-4-6(7)16/h7H,2-5H2,1H3/b9-8+
InChIKey VTCSSXLORZNDOO-CMDGGOBGSA-N
Mol Weight 300.27 g/mol
Molecular Formula C11H12F4O3S
Exact Mass 300.044328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KolRexP2o4h
Name ethyl (2E)-3-fluoro-3-[(2-oxocyclopentyl)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/C11H12F4O3S/c1-2-18-10(17)8(11(13,14)15)9(12)19-7-5-3-4-6(7)16/h7H,2-5H2,1H3/b9-8+
InChIKey VTCSSXLORZNDOO-CMDGGOBGSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1334
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: C96003; Labnumber: AKSIN-0105; SBI_ID: SBI-001336
Synonyms ethyl 3-fluoro-3-[(2-oxocyclopentyl)sulfanyl]-2-(trifluoromethyl)-2-propenoate
Temperature 315 °C