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Phenanthro[3,4-b]phenanthrene, 8-acetoxy-

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

Phenanthro[3,4-b]phenanthrene, 8-acetoxy-
SpectraBase Compound ID 62ZV4XUB828
InChI InChI=1S/C28H18O2/c1-30-28(29)26-15-20-13-11-18-7-3-5-9-22(18)27(20)25-16-23-19(14-24(25)26)12-10-17-6-2-4-8-21(17)23/h2-16H,1H3
InChIKey VSDHVHDVANQRQL-UHFFFAOYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C28H18O2
Exact Mass 386.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B69OGAEl35i
Name Phenanthro[3,4-B]phenanthrene, 8-acetoxy-
Comments Computed using HOSE algorithm
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Exact Mass 386.130679818 u
Formula C28H18O2
InChI InChI=1S/C28H18O2/c1-30-28(29)26-15-20-13-11-18-7-3-5-9-22(18)27(20)25-16-23-19(14-24(25)26)12-10-17-6-2-4-8-21(17)23/h2-16H,1H3
InChIKey VSDHVHDVANQRQL-UHFFFAOYSA-N
Molecular Weight 386.450 g/mol
SMILES C(=O)(C=1C2=CC3=CC=C4C(=C3C=C2C=2C(=CC=C3C=CC=CC23)C1)C=CC=C4)OC