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1-Adamantanecarboxylic acid, decyl ester

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1-Adamantanecarboxylic acid, decyl ester
SpectraBase Compound ID AqZdPKH3tk6
InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-23-20(22)21-14-17-11-18(15-21)13-19(12-17)16-21/h17-19H,2-16H2,1H3/t17-,18+,19-,21-
InChIKey SHIMEASIPHZSFL-YUNDZKQISA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25h6h5FOTC2
Name 1-Adamantanecarboxylic acid, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 320.271530397 u
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-23-20(22)21-14-17-11-18(15-21)13-19(12-17)16-21/h17-19H,2-16H2,1H3/t17-,18+,19-,21-
InChIKey SHIMEASIPHZSFL-YUNDZKQISA-N
Molecular Weight 320.517 g/mol
SMILES CCCCCCCCCCOC(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]