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1-Adamantanecarboxylic acid, 2-naphthyl ester
SpectraBase Compound ID 3epHrpqttdI
InChI InChI=1S/C21H22O2/c22-20(21-11-14-7-15(12-21)9-16(8-14)13-21)23-19-6-5-17-3-1-2-4-18(17)10-19/h1-6,10,14-16H,7-9,11-13H2/t14-,15+,16-,21-
InChIKey NDCDEBASCFYTSY-OFIQSVQDSA-N
Mol Weight 306.41 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dh9guQN7mC3
Name 1-Adamantanecarboxylic acid, 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 306.161979946 u
Formula C21H22O2
InChI InChI=1S/C21H22O2/c22-20(21-11-14-7-15(12-21)9-16(8-14)13-21)23-19-6-5-17-3-1-2-4-18(17)10-19/h1-6,10,14-16H,7-9,11-13H2/t14-,15+,16-,21-
InChIKey NDCDEBASCFYTSY-OFIQSVQDSA-N
Molecular Weight 306.405 g/mol
SMILES C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(=O)OC1=CC=C2C(C=CC=C2)=C1)[H])[H]