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1-((E)-4-([1,1'-biphenyl]-4-yl)buta-1,3-dien-2-yl)adamantane

View entire compound with spectra: 1 MS (GC)

1-((E)-4-([1,1'-biphenyl]-4-yl)buta-1,3-dien-2-yl)adamantane
SpectraBase Compound ID GrWCrpXHeRw
InChI InChI=1S/C26H28/c1-19(26-16-21-13-22(17-26)15-23(14-21)18-26)7-8-20-9-11-25(12-10-20)24-5-3-2-4-6-24/h2-12,21-23H,1,13-18H2/b8-7+/t21-,22+,23-,26-
InChIKey ZMCBFLOZIKESHX-COYUPXGHSA-N
Mol Weight 340.51 g/mol
Molecular Formula C26H28
Exact Mass 340.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BE7SsMQgO9
Name 1-((E)-4-([1,1'-biphenyl]-4-yl)buta-1,3-dien-2-yl)adamantane
Alternate Name(s) (3r,5r,7r)-1-((E)-4-([1,1'-biphenyl]-4-yl)buta-1,3-dien-2-yl)adamantane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28
InChI InChI=1S/C26H28/c1-19(26-16-21-13-22(17-26)15-23(14-21)18-26)7-8-20-9-11-25(12-10-20)24-5-3-2-4-6-24/h2-12,21-23H,1,13-18H2/b8-7+/t21-,22+,23-,26-
InChIKey ZMCBFLOZIKESHX-COYUPXGHSA-N
Literature Reference DOI 10.1039/c4cc03651d
Molecular Weight 340.510 g/mol
SMILES C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])C(\C=C\c1ccc(cc1)-c1ccccc1)=C)[H]
SPLASH splash10-0f79-4950000000-1456c15603feafa44cc4
Source of Spectrum KD-50-8050/SMS6-3d
Wiley ID 1754734