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4-(4'-Octylphenyl)-[2,2]paracyclophane

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

4-(4'-Octylphenyl)-[2,2]paracyclophane
SpectraBase Compound ID C2OM50s7I9e
InChI InChI=1S/C30H36/c1-2-3-4-5-6-7-8-24-15-19-28(20-16-24)30-23-27-14-13-25-9-11-26(12-10-25)17-21-29(30)22-18-27/h9-12,15-16,18-20,22-23H,2-8,13-14,17,21H2,1H3
InChIKey CKDXWKICUCHFKG-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C30H36
Exact Mass 396.281701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eU6UeEXpCs
Name 4-(4'-Octylphenyl)-[2.2]paracyclophane
Comments Computed using HOSE algorithm
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Exact Mass 396.281701159 u
Formula C30H36
InChI InChI=1S/C30H36/c1-2-3-4-5-6-7-8-24-15-19-28(20-16-24)30-23-27-14-13-25-9-11-26(12-10-25)17-21-29(30)22-18-27/h9-12,15-16,18-20,22-23H,2-8,13-14,17,21H2,1H3
InChIKey CKDXWKICUCHFKG-UHFFFAOYSA-N
Molecular Weight 396.618 g/mol
SMILES C=1(C=2CCC=3C=CC(CCC(C1)=CC2)=CC3)C1=CC=C(C=C1)CCCCCCCC