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2-[2,2,3,3,3-Pentafluoro-1-(4-phenoxyanilino)propylidene]malononitrile
SpectraBase Compound ID DAKtrJSag3A
InChI InChI=1S/C18H10F5N3O/c19-17(20,18(21,22)23)16(12(10-24)11-25)26-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-9,26H
InChIKey XOLOGQSABBBYSX-UHFFFAOYSA-N
Mol Weight 379.29 g/mol
Molecular Formula C18H10F5N3O
Exact Mass 379.074403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hMjwVWEGW8
Name 2-[2,2,3,3,3-Pentafluoro-1-(4-phenoxy-phenylamino)-propylidene]-malononitrile
Comments Computed using HOSE algorithm
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Exact Mass 379.074402768 u
Formula C18H10F5N3O
InChI InChI=1S/C18H10F5N3O/c19-17(20,18(21,22)23)16(12(10-24)11-25)26-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-9,26H
InChIKey XOLOGQSABBBYSX-UHFFFAOYSA-N
Molecular Weight 379.290 g/mol
SMILES C(=C(C#N)C#N)(C(C(F)(F)F)(F)F)NC1=CC=C(C=C1)OC1=CC=CC=C1