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methyl 4-[(1E)-2-cyano-3-(2-fluoroanilino)-3-oxo-1-propenyl]benzoate
SpectraBase Compound ID 2kMfRK4HNdD
InChI InChI=1S/C18H13FN2O3/c1-24-18(23)13-8-6-12(7-9-13)10-14(11-20)17(22)21-16-5-3-2-4-15(16)19/h2-10H,1H3,(H,21,22)/b14-10+
InChIKey QONNDZPXJAGTIJ-GXDHUFHOSA-N
Mol Weight 324.31 g/mol
Molecular Formula C18H13FN2O3
Exact Mass 324.09102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JRloEgJN2Ui
Name methyl 4-[(1E)-2-cyano-3-(2-fluoroanilino)-3-oxo-1-propenyl]benzoate
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/C18H13FN2O3/c1-24-18(23)13-8-6-12(7-9-13)10-14(11-20)17(22)21-16-5-3-2-4-15(16)19/h2-10H,1H3,(H,21,22)/b14-10+
InChIKey QONNDZPXJAGTIJ-GXDHUFHOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5490
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: D25998; Labnumber: SPDEM-2217; SBI_ID: SBI-005492
Synonyms methyl 4-[2-cyano-3-(2-fluoroanilino)-3-oxo-1-propenyl]benzoate
Temperature 318 °C