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1-Adamantanecarboxylic acid, 3-phenyl-2-propenyl ester
SpectraBase Compound ID 5u5uKR8hG6N
InChI InChI=1S/C20H24O2/c21-19(22-8-4-7-15-5-2-1-3-6-15)20-12-16-9-17(13-20)11-18(10-16)14-20/h1-7,16-18H,8-14H2/b7-4+/t16-,17+,18-,20-
InChIKey KKEAQVCVHSXUGO-JGEVVUBMSA-N
Mol Weight 296.41 g/mol
Molecular Formula C20H24O2
Exact Mass 296.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIkdF21eyno
Name 1-Adamantanecarboxylic acid, 3-phenyl-2-propenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 296.177630011 u
Formula C20H24O2
InChI InChI=1S/C20H24O2/c21-19(22-8-4-7-15-5-2-1-3-6-15)20-12-16-9-17(13-20)11-18(10-16)14-20/h1-7,16-18H,8-14H2/b7-4+/t16-,17+,18-,20-
InChIKey KKEAQVCVHSXUGO-JGEVVUBMSA-N
SMILES C1(=CC=CC=C1)\C=C\COC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O