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1-[2-Methyl-5-(9-triptycyl)phenyl]-2-(2-naphthyl)ethane
SpectraBase Compound ID 3HiTuzMEd0G
InChI InChI=1S/C39H28/c1-26-18-23-31(25-29(26)22-20-27-19-21-28-10-2-3-11-30(28)24-27)39-35-15-7-4-12-32(35)38(33-13-5-8-16-36(33)39)34-14-6-9-17-37(34)39/h2-25,38H,1H3/b22-20-/t38-,39?
InChIKey LISBFMIVLLMKKR-ODIBGFFLSA-N
Mol Weight 496.7 g/mol
Molecular Formula C39H28
Exact Mass 496.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2AOFjHNq5q
Name 1-[2-Methyl-5-(9-triptycyl)phenyl]-2-(2-naphthyl)ethane
Comments Less than 3 mono-isotopic peaks
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Formula C39H28
InChI InChI=1S/C39H28/c1-26-18-23-31(25-29(26)22-20-27-19-21-28-10-2-3-11-30(28)24-27)39-35-15-7-4-12-32(35)38(33-13-5-8-16-36(33)39)34-14-6-9-17-37(34)39/h2-25,38H,1H3/b22-20-/t38-,39?
InChIKey LISBFMIVLLMKKR-ODIBGFFLSA-N
Molecular Weight 496.653 g/mol
SMILES C12(c3c(cccc3)C(c3c1cccc3)c1c2cccc1)c1cc(\C=C/c2cc3ccccc3cc2)c(cc1)C
SPLASH splash10-0f6t-0060900000-e86f04157d80b085e2be
Source of Spectrum J-63-3663-9
Synonyms 1-{4-methyl-3-[(Z)-2-(2-naphthyl)ethenyl]phenyl}pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene
Wiley ID 1398369