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1,11-Diphenylundecane-4,8-dicarboxylic acid

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

1,11-Diphenylundecane-4,8-dicarboxylic acid
SpectraBase Compound ID Auev3IST1IR
InChI InChI=1S/C25H32O4/c26-24(27)22(16-7-14-20-10-3-1-4-11-20)18-9-19-23(25(28)29)17-8-15-21-12-5-2-6-13-21/h1-6,10-13,22-23H,7-9,14-19H2,(H,26,27)(H,28,29)
InChIKey SUANPMKQAMRVHU-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeyV7G9mOmH
Name 1,11-Diphenylundecane-4,8-dicarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c26-24(27)22(16-7-14-20-10-3-1-4-11-20)18-9-19-23(25(28)29)17-8-15-21-12-5-2-6-13-21/h1-6,10-13,22-23H,7-9,14-19H2,(H,26,27)(H,28,29)
InChIKey SUANPMKQAMRVHU-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(CCC(CCCC(CCCC=1C=CC=CC1)C(=O)O)C(=O)O)C=1C=CC=CC1