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2-Chlorobenzoic acid, 2-(1-adamantyl)ethyl ester

View entire compound with spectra: 1 NMR

2-Chlorobenzoic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID 8kIt2dfbqBO
InChI InChI=1S/C19H23ClO2/c20-17-4-2-1-3-16(17)18(21)22-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2/t13-,14+,15-,19+
InChIKey DUPQEGSBYNXUSQ-IZUZZMAOSA-N
Mol Weight 318.84 g/mol
Molecular Formula C19H23ClO2
Exact Mass 318.138658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nh4E2OmEML
Name 2-Chlorobenzoic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.138657679 u
Formula C19H23ClO2
InChI InChI=1S/C19H23ClO2/c20-17-4-2-1-3-16(17)18(21)22-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2/t13-,14+,15-,19+
InChIKey DUPQEGSBYNXUSQ-IZUZZMAOSA-N
Molecular Weight 318.844 g/mol
SMILES C(OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C=1C=CC=CC1Cl