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Benzocyclooctene, 6,7,8-triphenyl-9-(phenylmethyl)-
SpectraBase Compound ID LBradGn9IVC
InChI InChI=1S/C37H28/c1-5-15-28(16-6-1)25-34-26-32-23-13-14-24-33(32)27-35(29-17-7-2-8-18-29)37(31-21-11-4-12-22-31)36(34)30-19-9-3-10-20-30/h1-24,26-27H,25H2/b32-26-,33-27-,34-26-,35-27-,36-34-,37-35+,37-36-
InChIKey FPJSWUGAACPPIT-BIYONJPESA-N
Mol Weight 472.6 g/mol
Molecular Formula C37H28
Exact Mass 472.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14zjCMPAMxw
Name Benzocyclooctene, 6,7,8-triphenyl-9-(phenylmethyl)-
Alternate Name(s) 6-Benzyl-7,8,9-triphenylbenzocyclo-octene 6-benzyl-7,8,9-triphenylbenzo[a]cyclooctene
CAS Registry Number 107337-20-2
Comments Less than 3 mono-isotopic peaks
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Formula C37H28
InChI InChI=1S/C37H28/c1-5-15-28(16-6-1)25-34-26-32-23-13-14-24-33(32)27-35(29-17-7-2-8-18-29)37(31-21-11-4-12-22-31)36(34)30-19-9-3-10-20-30/h1-24,26-27H,25H2/b32-26-,33-27-,34-26-,35-27-,36-34-,37-35+,37-36-
InChIKey FPJSWUGAACPPIT-BIYONJPESA-N
Molecular Weight 472.631 g/mol
SMILES c12\C=C/(\C(=C/(\C(=C/c1cccc2)Cc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
SPLASH splash10-001i-0009400000-8a79557a8de1fb2e3d50
Source of Spectrum KC-1986-966-23
Wiley ID 1393587