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2-Fluorobenzoic acid. 2-(1-adamantyl)ethyl ester

View entire compound with spectra: 1 NMR

2-Fluorobenzoic acid. 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID 8ogaHsVjZps
InChI InChI=1S/C19H23FO2/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 ZERFPIOGJGIEKF-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 1HbNxkVRr
Name 2-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/c20-17-4-2-1-3-16(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 ZERFPIOGJGIEKF-IZUZZMAOSA-N
Molecular Weight 302.389 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)C1=C(C=CC=C1)F)[H]