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2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[2,2,3,3,3-Pentafluoro-1-(4-methoxy-phenylamino)-propylidene]-malononitrile
SpectraBase Compound ID 5Bw4PkWKGqG
InChI InChI=1S/C13H8F5N3O/c1-22-10-4-2-9(3-5-10)21-11(8(6-19)7-20)12(14,15)13(16,17)18/h2-5,21H,1H3
InChIKey CIQKKVBYLKIOTB-UHFFFAOYSA-N
Mol Weight 317.22 g/mol
Molecular Formula C13H8F5N3O
Exact Mass 317.058753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LtsBuaQ5V43
Name propanedinitrile, 2-[2,2,3,3,3-pentafluoro-1-[(4-methoxyphenyl)amino]propylidene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.058752704 u
Formula C13H8F5N3O
InChI InChI=1S/C13H8F5N3O/c1-22-10-4-2-9(3-5-10)21-11(8(6-19)7-20)12(14,15)13(16,17)18/h2-5,21H,1H3
InChIKey CIQKKVBYLKIOTB-UHFFFAOYSA-N
Molecular Weight 317.219 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15536
Solvent DMSO-d6
Source Vendor ID: ZI/10039456; Lab Info: SIZ; Lab Number: SIZ-0417031