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[2,2](3,3')Biphenylophane
SpectraBase Compound ID Ef6EgOlH1ph
InChI InChI=1S/C28H24/c1-5-21-13-14-22-7-3-11-27(19-22)28-12-4-8-24(20-28)16-15-23-6-2-10-26(18-23)25(9-1)17-21/h1-12,17-20H,13-16H2
InChIKey XHHULNFRTWVTER-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C28H24
Exact Mass 360.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoV6rBEOQF1
Name [2,2](3,3')Biphenylophane
CAS Registry Number 24656-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24
InChI InChI=1S/C28H24/c1-5-21-13-14-22-7-3-11-27(19-22)28-12-4-8-24(20-28)16-15-23-6-2-10-26(18-23)25(9-1)17-21/h1-12,17-20H,13-16H2
InChIKey XHHULNFRTWVTER-UHFFFAOYSA-N
Molecular Weight 360.500 g/mol
SMILES c12-c3cc(CCc4cc(-c5cc(CCc(c2)ccc1)ccc5)ccc4)ccc3
SPLASH splash10-03fr-0907000000-93d7ec53ac680d046d81
Source of Spectrum J-43-2487-0
Synonyms Pentacyclo[19.3.1.1(2,6).1(9,13).1(14,18)]octacosa-1(25),2(28),3,5,9(27),10,12,14(26),15,17,21,23-dodecaene
Wiley ID 1348776