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9H-Fluorene-4-carboxylic acid, 9-(dicyanomethylene)-, 3,7,11,15-tetramethyl-2-hexadecenyl ester
SpectraBase Compound ID CalDWKbXTZb
InChI InChI=1S/C37H46N2O2/c1-26(2)12-8-13-27(3)14-9-15-28(4)16-10-17-29(5)22-23-41-37(40)34-21-11-20-33-35(30(24-38)25-39)31-18-6-7-19-32(31)36(33)34/h6-7,11,18-22,26-28H,8-10,12-17,23H2,1-5H3/b29-22+
InChIKey SXOUOXARRFSMLU-QUPMIFSKSA-N
Mol Weight 550.8 g/mol
Molecular Formula C37H46N2O2
Exact Mass 550.355929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6twdyEOwLQh
Name 9H-Fluorene-4-carboxylic acid, 9-(dicyanomethylene)-, 3,7,11,15-tetramethyl-2-hexadecenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 550.355928727 u
Formula C37H46N2O2
InChI InChI=1S/C37H46N2O2/c1-26(2)12-8-13-27(3)14-9-15-28(4)16-10-17-29(5)22-23-41-37(40)34-21-11-20-33-35(30(24-38)25-39)31-18-6-7-19-32(31)36(33)34/h6-7,11,18-22,26-28H,8-10,12-17,23H2,1-5H3/b29-22+
InChIKey SXOUOXARRFSMLU-QUPMIFSKSA-N
Molecular Weight 550.787 g/mol
SMILES C1(C2=C(C(C(=O)OC\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)=CC=C2)C2=C1C=CC=C2)=C(C#N)C#N