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4-Phenyltetracyclo[7.6.0.0(8,13).2(2,6)]pentadecapentaene-5-one
SpectraBase Compound ID JThHmdu8J9x
InChI InChI=1S/C21H16O/c22-21-17-11-10-14(12-18(21)13-6-2-1-3-7-13)19-15-8-4-5-9-16(15)20(17)19/h1-12,14,17,19-20H/t14?,17?,19-,20?/m1/s1
InChIKey WJRGVOGWOQJPHD-ALEWSVLGSA-N
Mol Weight 284.36 g/mol
Molecular Formula C21H16O
Exact Mass 284.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGAx4wLtdpd
Name 4-Phenyltetracyclo[7.6.0.0(8,13).2(2,6)]pentadecapentaene-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H16O
InChI InChI=1S/C21H16O/c22-21-17-11-10-14(12-18(21)13-6-2-1-3-7-13)19-15-8-4-5-9-16(15)20(17)19/h1-12,14,17,19-20H/t14?,17?,19-,20?/m1/s1
InChIKey WJRGVOGWOQJPHD-ALEWSVLGSA-N
Molecular Weight 284.358 g/mol
SMILES C12[C@](C3C=C(C(C2C=C3)=O)c2ccccc2)(c2c1cccc2)[H]
SPLASH splash10-004i-0930000000-7edb3df4eba077927dcd
Source of Spectrum E1-40-2832-4
Wiley ID 1551744