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4-[[4'-(Dodecyloxy)-[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 3Q5uFrud9RM
InChI InChI=1S/C48H52O5/c1-2-3-4-5-6-7-8-9-10-11-34-51-43-28-22-39(23-29-43)40-24-30-44(31-25-40)52-47(49)42-26-32-45(33-27-42)53-48(50)46-35-38-17-16-36-12-14-37(15-13-36)18-20-41(46)21-19-38/h12-15,19,21-33,35H,2-11,16-18,20,34H2,1H3
InChIKey DPFXSUNBSCABGB-UHFFFAOYSA-N
Mol Weight 708.9 g/mol
Molecular Formula C48H52O5
Exact Mass 708.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAOCHuX0Etl
Name 4-[[4'-(Dodecyloxy)-[1,1'-biphenyl-4'-yl]oxycarbonyl}phenyl Tricyclo[8.2.2.2(6,7)]hexadeca-4,6,10,12,13,15-hexaene-5-carboxylate
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Formula C48H52O5
InChI InChI=1S/C48H52O5/c1-2-3-4-5-6-7-8-9-10-11-34-51-43-28-22-39(23-29-43)40-24-30-44(31-25-40)52-47(49)42-26-32-45(33-27-42)53-48(50)46-35-38-17-16-36-12-14-37(15-13-36)18-20-41(46)21-19-38/h12-15,19,21-33,35H,2-11,16-18,20,34H2,1H3
InChIKey DPFXSUNBSCABGB-UHFFFAOYSA-N
Molecular Weight 708.939 g/mol
SMILES C(c1c2CCc3ccc(CCc(c1)cc2)cc3)(Oc1ccc(C(Oc2ccc(cc2)-c2ccc(cc2)OCCCCCCCCCCCC)=O)cc1)=O
SPLASH splash10-0a5i-0870000900-9c153897d226da22e496
Source of Spectrum H-85-439-0
Wiley ID 1523986