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2,2'-Biphenylene dicinnamate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2,2'-Biphenylene dicinnamate
SpectraBase Compound ID 3cgy37br0I3
InChI InChI=1S/C30H22O4/c31-29(21-19-23-11-3-1-4-12-23)33-27-17-9-7-15-25(27)26-16-8-10-18-28(26)34-30(32)22-20-24-13-5-2-6-14-24/h1-22H/b21-19+,22-20+
InChIKey PBZJHTZDWHOFPD-FLFKKZLDSA-N
Mol Weight 446.5 g/mol
Molecular Formula C30H22O4
Exact Mass 446.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IxJBhUzZGPs
Name 2,2'-Biphenylene dicinnamate
Comments Computed using HOSE algorithm
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Exact Mass 446.151809184 u
Formula C30H22O4
InChI InChI=1S/C30H22O4/c31-29(21-19-23-11-3-1-4-12-23)33-27-17-9-7-15-25(27)26-16-8-10-18-28(26)34-30(32)22-20-24-13-5-2-6-14-24/h1-22H/b21-19+,22-20+
InChIKey PBZJHTZDWHOFPD-FLFKKZLDSA-N
Molecular Weight 446.502 g/mol
SMILES C1=CC=CC(=C1OC(\C=C\C1=CC=CC=C1)=O)C1=CC=CC=C1OC(\C=C\C1=CC=CC=C1)=O