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1-((E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl)adamantane
SpectraBase Compound ID Ggc9lDGlMlN
InChI InChI=1S/C20H23NO2/c1-14(2-3-15-4-6-19(7-5-15)21(22)23)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 ZBEFRQVEHFELTO-YNRQOLPZSA-N
Mol Weight 309.41 g/mol
Molecular Formula C20H23NO2
Exact Mass 309.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdzTzY3SxgK
Name 1-((E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl)adamantane
Alternate Name(s) (3r,5r,7r)-1-((E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl)adamantane
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Formula C20H23NO2
InChI InChI=1S/C20H23NO2/c1-14(2-3-15-4-6-19(7-5-15)21(22)23)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 ZBEFRQVEHFELTO-YNRQOLPZSA-N
Literature Reference DOI 10.1039/c4cc03651d
Molecular Weight 309.409 g/mol
SMILES C1[C@]2(CC3(C[C@@]1(C[C@](C3)(C2)[H])[H])C(\C=C\c1ccc(cc1)[N+](=O)[O-])=C)[H]
SPLASH splash10-002r-2900000000-69bff61bea6150757f40
Source of Spectrum KD-50-8050/SMS7-3i
Wiley ID 1754739