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[13C1]2,7-Di-tert-Butyl-3,6-di(4-methoxyphenyl)biphenylene
SpectraBase Compound ID ICvMWh34TcY
InChI InChI=1S/C34H36O2/c1-33(2,3)31-19-29-27(17-25(31)21-9-13-23(35-7)14-10-21)28-18-26(22-11-15-24(36-8)16-12-22)32(20-30(28)29)34(4,5)6/h9-20H,1-8H3/i19+1
InChIKey IJWVQSXQEQLEGA-QHPTYGIKSA-N
Mol Weight 477.7 g/mol
Molecular Formula C3313CH36O2
Exact Mass 477.274885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lw4MVG45sg
Name [13C1]2,7-Di-tert-Butyl-3,6-di(4-methoxyphenyl)biphenylene
Comments Less than 3 mono-isotopic peaks; Original formula: C33[13C]H36O2
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Formula C34H36O2
InChI InChI=1S/C34H36O2/c1-33(2,3)31-19-29-27(17-25(31)21-9-13-23(35-7)14-10-21)28-18-26(22-11-15-24(36-8)16-12-22)32(20-30(28)29)34(4,5)6/h9-20H,1-8H3/i19+1
InChIKey IJWVQSXQEQLEGA-QHPTYGIKSA-N
Molecular Weight 477.652 g/mol
SMILES [13cH]1c(c(cc-2c1-c1c2cc(c(c1)C(C)(C)C)-c1ccc(cc1)OC)-c1ccc(cc1)OC)C(C)(C)C
SPLASH splash10-004i-0000900000-afbb54f218d4a7b38fa4
Source of Spectrum KC-57-3734-14
Wiley ID 1623873