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Propanedioic acid, methyl(10-phenyl-9-anthracenyl)-, diethyl ester

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

Propanedioic acid, methyl(10-phenyl-9-anthracenyl)-, diethyl ester
SpectraBase Compound ID 1EehMxT3DIT
InChI InChI=1S/C28H26O4/c1-4-31-26(29)28(3,27(30)32-5-2)25-22-17-11-9-15-20(22)24(19-13-7-6-8-14-19)21-16-10-12-18-23(21)25/h6-18H,4-5H2,1-3H3
InChIKey CJFFLWWKIDRNCE-UHFFFAOYSA-N
Mol Weight 426.51 g/mol
Molecular Formula C28H26O4
Exact Mass 426.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhL3zT0ZGZa
Name Propanedioic acid, methyl(10-phenyl-9-anthracenyl)-, diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.183109313 u
Formula C28H26O4
InChI InChI=1S/C28H26O4/c1-4-31-26(29)28(3,27(30)32-5-2)25-22-17-11-9-15-20(22)24(19-13-7-6-8-14-19)21-16-10-12-18-23(21)25/h6-18H,4-5H2,1-3H3
InChIKey CJFFLWWKIDRNCE-UHFFFAOYSA-N
Molecular Weight 426.512 g/mol
SMILES C(C1=C2C(C=CC=C2)=C(C=2C1=CC=CC2)C1=CC=CC=C1)(C(=O)OCC)(C(=O)OCC)C