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4,4,5,5-Tetramethyl-2-(4-pyren-1-yl)phenyl-1-yl-1,3,2-dioxaborolane
SpectraBase Compound ID 4e8QEdUQ1bs
InChI InChI=1S/C28H25BO2/c1-27(2)28(3,4)31-29(30-27)22-14-10-18(11-15-22)23-16-12-21-9-8-19-6-5-7-20-13-17-24(23)26(21)25(19)20/h5-17H,1-4H3
InChIKey SUNXRCUSWHLBRP-UHFFFAOYSA-N
Mol Weight 404.3 g/mol
Molecular Formula C28H25BO2
Exact Mass 404.19476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jjBN8pKOtc
Name 4,4,5,5-Tetramethyl-2-(4-pyren-1-yl)phenyl-1-yl-1,3,2-dioxaborolane
Comments Less than 3 mono-isotopic peaks
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Formula C28H25BO2
InChI InChI=1S/C28H25BO2/c1-27(2)28(3,4)31-29(30-27)22-14-10-18(11-15-22)23-16-12-21-9-8-19-6-5-7-20-13-17-24(23)26(21)25(19)20/h5-17H,1-4H3
InChIKey SUNXRCUSWHLBRP-UHFFFAOYSA-N
Molecular Weight 404.316 g/mol
SMILES C1(OB(OC1(C)C)c1ccc(-c2c3c4c5c(cccc5cc3)ccc4cc2)cc1)(C)C
SPLASH splash10-0udi-0001900000-2f5ee65b810e2b29a050
Source of Spectrum SO-0-2149-7
Wiley ID 879262