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2-[4-[2,3,4,5,6-Pentafluorocynnamoyl]anilino]-3-pipepidino-1,4-naphthoquinone

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2-[4-[2,3,4,5,6-Pentafluorocynnamoyl]anilino]-3-pipepidino-1,4-naphthoquinone
SpectraBase Compound ID 1ebHVjuOGRP
InChI InChI=1S/C30H21F5N2O3/c31-22-20(23(32)25(34)26(35)24(22)33)12-13-21(38)16-8-10-17(11-9-16)36-27-28(37-14-4-1-5-15-37)30(40)19-7-3-2-6-18(19)29(27)39/h2-3,6-13,36H,1,4-5,14-15H2/b13-12+
InChIKey ZNIOPDPOTNTKHE-OUKQBFOZSA-N
Mol Weight 552.5 g/mol
Molecular Formula C30H21F5N2O3
Exact Mass 552.147233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PgBOatYsEc
Name 2-[4-[2,3,4,5,6-Pentafluorocynnamoyl]anilino]-3-pipepidino-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.147233356 u
Formula C30H21F5N2O3
InChI InChI=1S/C30H21F5N2O3/c31-22-20(23(32)25(34)26(35)24(22)33)12-13-21(38)16-8-10-17(11-9-16)36-27-28(37-14-4-1-5-15-37)30(40)19-7-3-2-6-18(19)29(27)39/h2-3,6-13,36H,1,4-5,14-15H2/b13-12+
InChIKey ZNIOPDPOTNTKHE-OUKQBFOZSA-N
Molecular Weight 552.501 g/mol
SMILES C1=CC=C2C(=C1)C(C(=C(C2=O)NC1=CC=C(C=C1)C(\C=C\C1=C(C(=C(F)C(=C1F)F)F)F)=O)N1CCCCC1)=O