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3-Fluorobenzoic acid, 2-(1-adamantyl)ethyl ester

View entire compound with spectra: 1 NMR

3-Fluorobenzoic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID 3XBWwtgltOI
InChI InChI=1S/C19H23FO2/c20-17-3-1-2-16(9-17)18(21)22-5-4-19-10-13-6-14(11-19)8-15(7-13)12-19/h1-3,9,13-15H,4-8,10-12H2/t13-,14+,15-,19+
InChIKey TWYCYWMYZZXAGB-IZUZZMAOSA-N
Mol Weight 302.39 g/mol
Molecular Formula C19H23FO2
Exact Mass 302.168208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40151B6ddwy
Name 3-Fluorobenzoic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 302.168208142 u
Formula C19H23FO2
InChI InChI=1S/C19H23FO2/c20-17-3-1-2-16(9-17)18(21)22-5-4-19-10-13-6-14(11-19)8-15(7-13)12-19/h1-3,9,13-15H,4-8,10-12H2/t13-,14+,15-,19+
InChIKey TWYCYWMYZZXAGB-IZUZZMAOSA-N
Molecular Weight 302.389 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)C1=CC=CC(=C1)F)[H]