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10-( 1'-Hydroxy-1'-phenylmethyl )-12-methyldibenzo[c,g] phenanthrene

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

10-( 1'-Hydroxy-1'-phenylmethyl )-12-methyldibenzo[c,g] phenanthrene
SpectraBase Compound ID B2fsbrUrs6A
InChI InChI=1S/C30H22O/c1-19-10-11-20-12-13-22-15-17-23-16-14-21-8-5-9-25(30(31)24-6-3-2-4-7-24)27(21)29(23)28(22)26(20)18-19/h2-18,30-31H,1H3
InChIKey WGGMLZVAWVJDCI-UHFFFAOYSA-N
Mol Weight 398.51 g/mol
Molecular Formula C30H22O
Exact Mass 398.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RgNz1pSSW6
Name 10-( 1'-Hydroxy-1'-phenylmethyl )-12-methyldibenzo[C,G] phenanthrene
Comments Computed using HOSE algorithm
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Exact Mass 398.167065327 u
Formula C30H22O
InChI InChI=1S/C30H22O/c1-19-10-11-20-12-13-22-15-17-23-16-14-21-8-5-9-25(30(31)24-6-3-2-4-7-24)27(21)29(23)28(22)26(20)18-19/h2-18,30-31H,1H3
InChIKey WGGMLZVAWVJDCI-UHFFFAOYSA-N
Molecular Weight 398.505 g/mol
SMILES C12=C3C4=C5C(C=CC(=C5)C)=CC=C4C=CC3=CC=C1C=CC=C2C(C1=CC=CC=C1)O