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methyl (2E)-3-{[(1E)-2-amino-1-cyano-1-propenyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)-2-propenoate
SpectraBase Compound ID 70pmFzDYHsh
InChI InChI=1S/C9H8F4N2O2S/c1-4(15)5(3-14)18-7(10)6(8(16)17-2)9(11,12)13/h15H2,1-2H3/b5-4+,7-6+
InChIKey QZZYXHVTIXHSOF-YTXTXJHMSA-N
Mol Weight 284.23 g/mol
Molecular Formula C9H8F4N2O2S
Exact Mass 284.024261 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DVcauTYbTGZ
Name methyl (2E)-3-{[(1E)-2-amino-1-cyano-1-propenyl]sulfanyl}-3-fluoro-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/C9H8F4N2O2S/c1-4(15)5(3-14)18-7(10)6(8(16)17-2)9(11,12)13/h15H2,1-2H3/b5-4+,7-6+
InChIKey QZZYXHVTIXHSOF-YTXTXJHMSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1304
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: C95965; Labnumber: AKSIN-0063; SBI_ID: SBI-001306
Synonyms methyl 3-{[2-amino-1-cyano-1-propenyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)-2-propenoate
Temperature 315 °C