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4-[[4'-(Octyloxy)-[1,1'-biphenyl-4'-yl]oxycarbonyl}phenyl tricyclo[8.2.2.2(6,7)]hexadeca-4,6,10,12,13,15-hexaene-5-carboxylate

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

4-[[4'-(Octyloxy)-[1,1'-biphenyl-4'-yl]oxycarbonyl}phenyl tricyclo[8.2.2.2(6,7)]hexadeca-4,6,10,12,13,15-hexaene-5-carboxylate
SpectraBase Compound ID 3le8eSDtrJR
InChI InChI=1S/C44H44O5/c1-2-3-4-5-6-7-30-47-39-24-18-35(19-25-39)36-20-26-40(27-21-36)48-43(45)38-22-28-41(29-23-38)49-44(46)42-31-34-13-12-32-8-10-33(11-9-32)14-16-37(42)17-15-34/h8-11,15,17-29,31H,2-7,12-14,16,30H2,1H3
InChIKey QVMOPUBHCBMFJE-UHFFFAOYSA-N
Mol Weight 652.8 g/mol
Molecular Formula C44H44O5
Exact Mass 652.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiwOoQyLRqd
Name 4-[[4'-(Octyloxy)-[1,1'-biphenyl-4'-yl]oxycarbonyl}phenyl tricyclo[8.2.2.2(6,7)]hexadeca-4,6,10,12,13,15-hexaene-5-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 652.318874512 u
Formula C44H44O5
InChI InChI=1S/C44H44O5/c1-2-3-4-5-6-7-30-47-39-24-18-35(19-25-39)36-20-26-40(27-21-36)48-43(45)38-22-28-41(29-23-38)49-44(46)42-31-34-13-12-32-8-10-33(11-9-32)14-16-37(42)17-15-34/h8-11,15,17-29,31H,2-7,12-14,16,30H2,1H3
InChIKey QVMOPUBHCBMFJE-UHFFFAOYSA-N
Molecular Weight 652.831 g/mol
SMILES C(C1=C2CCC=3C=CC(CCC(=C1)C=C2)=CC3)(OC1=CC=C(C(OC2=CC=C(C=C2)C=2C=CC(=CC2)OCCCCCCCC)=O)C=C1)=O