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2,3',5,6'-tetra(t-butyl)-9-(1'-naphthyl)perylene
SpectraBase Compound ID GIJ3azhvYpi
InChI InChI=1S/C46H50/c1-43(2,3)29-16-17-33-27(20-29)21-30(44(4,5)6)24-38(33)34-18-19-37-40-26-32(46(10,11)12)23-28-22-31(45(7,8)9)25-39(41(28)40)36-15-13-14-35(34)42(36)37/h13-26H,1-12H3
InChIKey SWTNSIACCBJBMK-UHFFFAOYSA-N
Mol Weight 602.9 g/mol
Molecular Formula C46H50
Exact Mass 602.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KcEpBGBSNy
Name 2,3',5,6'-tetra(t-butyl)-9-(1'-naphthyl)perylene
CAS Registry Number 126822-85-3
Comments Less than 3 mono-isotopic peaks
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Formula C46H50
InChI InChI=1S/C46H50/c1-43(2,3)29-16-17-33-27(20-29)21-30(44(4,5)6)24-38(33)34-18-19-37-40-26-32(46(10,11)12)23-28-22-31(45(7,8)9)25-39(41(28)40)36-15-13-14-35(34)42(36)37/h13-26H,1-12H3
InChIKey SWTNSIACCBJBMK-UHFFFAOYSA-N
Molecular Weight 602.906 g/mol
SMILES c12c3c4cc(C(C)(C)C)cc5c4c(c2cccc1c(-c1c2c(cc(cc2)C(C)(C)C)cc(c1)C(C)(C)C)cc3)cc(c5)C(C)(C)C
SPLASH splash10-0udi-3000009000-97df83837f4c590397dc
Source of Spectrum K-124-2098-24
Synonyms 2,5-ditert-butyl-9-(3,6-ditert-butyl-1-naphthyl)perylene
Wiley ID 1410366