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1-((E)-4-(4-bromophenyl)buta-1,3-dien-2-yl)adamantane
SpectraBase Compound ID L1fvO8Pedmm
InChI InChI=1S/C20H23Br/c1-14(2-3-15-4-6-19(21)7-5-15)20-11-16-8-17(12-20)10-18(9-16)13-20/h2-7,16-18H,1,8-13H2/b3-2+/t16-,17+,18-,20-
InChIKey DUDIENBEODTRSV-YNRQOLPZSA-N
Mol Weight 343.31 g/mol
Molecular Formula C20H23Br
Exact Mass 342.098314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgIO5AevLEz
Name 1-((E)-4-(4-bromophenyl)buta-1,3-dien-2-yl)adamantane
Alternate Name(s) (3r,5r,7r)-1-((E)-4-(4-bromophenyl)buta-1,3-dien-2-yl)adamantane
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Formula C20H23Br
InChI InChI=1S/C20H23Br/c1-14(2-3-15-4-6-19(21)7-5-15)20-11-16-8-17(12-20)10-18(9-16)13-20/h2-7,16-18H,1,8-13H2/b3-2+/t16-,17+,18-,20-
InChIKey DUDIENBEODTRSV-YNRQOLPZSA-N
Literature Reference DOI 10.1039/c4cc03651d
Molecular Weight 343.308 g/mol
SMILES C1[C@]2(CC3(C[C@@]1(C[C@](C3)(C2)[H])[H])C(\C=C\c1ccc(cc1)Br)=C)[H]
SPLASH splash10-000i-3910000000-be0458ca1822c8b1d10d
Source of Spectrum KD-50-8050/SMS8-3l
Wiley ID 1754742