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1,1'-ethyne-1,2-diylbis(7-tert-butylpyrene-2-ol)
SpectraBase Compound ID 3fxDS50CTix
InChI InChI=1S/C42H34O2/c1-41(2,3)29-17-23-7-9-27-21-35(43)31(33-13-11-25(19-29)37(23)39(27)33)15-16-32-34-14-12-26-20-30(42(4,5)6)18-24-8-10-28(22-36(32)44)40(34)38(24)26/h7-14,17-22,43-44H,1-6H3
InChIKey POMURGXXHFMGEP-UHFFFAOYSA-N
Mol Weight 570.7 g/mol
Molecular Formula C42H34O2
Exact Mass 570.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOBe4aCtWTs
Name 1,1'-ethyne-1,2-diylbis(7-tert-butylpyrene-2-ol)
Appearance Yellow powder
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Exact Mass 570.255880333 u
Formula C42H34O2
InChI InChI=1S/C42H34O2/c1-41(2,3)29-17-23-7-9-27-21-35(43)31(33-13-11-25(19-29)37(23)39(27)33)15-16-32-34-14-12-26-20-30(42(4,5)6)18-24-8-10-28(22-36(32)44)40(34)38(24)26/h7-14,17-22,43-44H,1-6H3
InChIKey POMURGXXHFMGEP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500826
Molecular Weight 570.732 g/mol
Reported Formula C42H34O2
SMILES OC1=CC2=C3C(=C1C#CC1=C(C=C4C=5C=6C(C=CC15)=CC(=CC6C=C4)C(C)(C)C)O)C=CC=1C3=C(C=C2)C=C(C1)C(C)(C)C
SPLASH splash10-00di-0020090000-b12591d28f34e28d3fa5
Source of Spectrum QE-21-SM6-10 (DOI: 10.1002/chem.201500826)
Wiley ID 1909107