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4,13-(9',10'-Phenanthreno)[2.2]paracyclophane

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

4,13-(9',10'-Phenanthreno)[2.2]paracyclophane
SpectraBase Compound ID EBpP5On4Vpm
InChI InChI=1S/C30H22/c1-3-7-25-23(5-1)24-6-2-4-8-26(24)30-28-18-20-10-9-19-11-13-21(27(17-19)29(25)30)15-16-22(28)14-12-20/h1-8,11-14,17-18H,9-10,15-16H2
InChIKey SOQUVKGRQCLTNF-UHFFFAOYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C30H22
Exact Mass 382.172151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oZMn9tukIq
Name 4,13-(9',10'-Phenanthreno)[2.2]paracyclophane
Comments Computed using HOSE algorithm
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Exact Mass 382.172150708 u
Formula C30H22
InChI InChI=1S/C30H22/c1-3-7-25-23(5-1)24-6-2-4-8-26(24)30-28-18-20-10-9-19-11-13-21(27(17-19)29(25)30)15-16-22(28)14-12-20/h1-8,11-14,17-18H,9-10,15-16H2
InChIKey SOQUVKGRQCLTNF-UHFFFAOYSA-N
Molecular Weight 382.506 g/mol
SMILES C12=C(C3=C4C=CC(=C3)CCC3=CC1=C(CC4)C=C3)C=1C=CC=CC1C=1C2=CC=CC1