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1,2(9,10)-Phenanthreno[2.2]paracyclophan-1-ene
SpectraBase Compound ID CLG6EVLm7mG
InChI InChI=1S/C28H20/c1-3-7-25-23(5-1)24-6-2-4-8-26(24)28-22-17-13-20(14-18-22)10-9-19-11-15-21(16-12-19)27(25)28/h1-8,11-18H,9-10H2
InChIKey AYWUWQRCLWLHDV-UHFFFAOYSA-N
Mol Weight 356.47 g/mol
Molecular Formula C28H20
Exact Mass 356.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3gxBdBFSgm
Name 1,2(9,10)-Phenanthreno[2.2]paracyclophan-1-ene
Alternate Name(s) hexacyclo[20.2.2.2(16,19).0(2,15).0(3,8).0(9,14)]octacosa-1(24),2(15),3,5,7,9,11,13,16,18,22,25,27-tridecaene
Comments Less than 3 mono-isotopic peaks
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Formula C28H20
InChI InChI=1S/C28H20/c1-3-7-25-23(5-1)24-6-2-4-8-26(24)28-22-17-13-20(14-18-22)10-9-19-11-15-21(16-12-19)27(25)28/h1-8,11-18H,9-10H2
InChIKey AYWUWQRCLWLHDV-UHFFFAOYSA-N
Molecular Weight 356.468 g/mol
SMILES c-12c(c3ccccc3c3c2cccc3)-c2ccc(cc2)CCc2ccc1cc2
SPLASH splash10-0a4i-0009000000-144f80cdeb57723c7c18
Source of Spectrum K-125-1897-6
Wiley ID 1346286