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(11Z)-5,6-dihydro-11,12-diphenyldibenzo[a,e]cyclooctene
SpectraBase Compound ID FxfGPjdOo1C
InChI InChI=1S/C28H22/c1-3-13-23(14-4-1)27-25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)28(27)24-15-5-2-6-16-24/h1-18H,19-20H2/b28-27-
InChIKey KISGRFWVDVVOLO-DQSJHHFOSA-N
Mol Weight 358.48 g/mol
Molecular Formula C28H22
Exact Mass 358.172151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HT3Li3LqzAx
Name (11Z)-5,6-Dihydro-11,12-diphenyldibenzo[A,E]cyclooctene
Comments Computed using HOSE algorithm
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Exact Mass 358.172150708 u
Formula C28H22
InChI InChI=1S/C28H22/c1-3-13-23(14-4-1)27-25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)28(27)24-15-5-2-6-16-24/h1-18H,19-20H2/b28-27-
InChIKey KISGRFWVDVVOLO-DQSJHHFOSA-N
Molecular Weight 358.484 g/mol
SMILES C=12\C(=C/(C=3C(CCC2=CC=CC1)=CC=CC3)C1=CC=CC=C1)C=1C=CC=CC1