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6,7-Dihydro-7-iodo-5H,14H-benzo[6,7]cycloocta[1,2-a]naphthalen-14-one
SpectraBase Compound ID FTpOc0d7bG5
InChI InChI=1S/C20H15IO/c21-18-12-10-14-6-2-4-8-16(14)20(22)19-15-7-3-1-5-13(15)9-11-17(18)19/h1-9,11,18H,10,12H2
InChIKey YMOCUBKCGIRYRT-UHFFFAOYSA-N
Mol Weight 398.24 g/mol
Molecular Formula C20H15IO
Exact Mass 398.01676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSHZmRDN46u
Name 6,7-Dihydro-7-iodo-5H,14H-benzo[6,7]cycloocta[1,2-a]naphthalen-14-one
Alternate Name(s) 6,7-Dihydro-7-iodo-5H,14H-benzo[6,7]cycloocta[1,2-a]naphtghalen-14-one 8-iodo-7,8-dihydrobenzo[6,7]cycloocta[1,2-a]naphthalen-1(6H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C20H15IO
InChI InChI=1S/C20H15IO/c21-18-12-10-14-6-2-4-8-16(14)20(22)19-15-7-3-1-5-13(15)9-11-17(18)19/h1-9,11,18H,10,12H2
InChIKey YMOCUBKCGIRYRT-UHFFFAOYSA-N
Molecular Weight 398.243 g/mol
SMILES C1(c2c(ccc3c2cccc3)C(I)CCc2c1cccc2)=O
SPLASH splash10-00di-0090000000-cc8f0b915a7bd3692813
Source of Spectrum KC-1993-828-18
Wiley ID 779367