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bis(4-Pentylphenyl) exo,exo-bicyclo[3.1.0]hexane-3,6-dicarboxylate
SpectraBase Compound ID 8davyyagBux
InChI InChI=1S/C30H38O4/c1-3-5-7-9-21-11-15-24(16-12-21)33-29(31)23-19-26-27(20-23)28(26)30(32)34-25-17-13-22(14-18-25)10-8-6-4-2/h11-18,23,26-28H,3-10,19-20H2,1-2H3
InChIKey OESBYYMMGQLGKN-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C30H38O4
Exact Mass 462.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBJRzlkrhrK
Name bis(4-Pentylphenyl) exo,exo-bicyclo[3.1.0]hexane-3,6-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 462.277009700 u
Formula C30H38O4
InChI InChI=1S/C30H38O4/c1-3-5-7-9-21-11-15-24(16-12-21)33-29(31)23-19-26-27(20-23)28(26)30(32)34-25-17-13-22(14-18-25)10-8-6-4-2/h11-18,23,26-28H,3-10,19-20H2,1-2H3
InChIKey OESBYYMMGQLGKN-UHFFFAOYSA-N
Molecular Weight 462.630 g/mol
SMILES C12CC(CC2C1C(=O)OC=1C=CC(=CC1)CCCCC)C(=O)OC=1C=CC(=CC1)CCCCC