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3-Fluorobenzoic acid, 2-adamantyl ester

View entire compound with spectra: 1 NMR

3-Fluorobenzoic acid, 2-adamantyl ester
SpectraBase Compound ID 12rYRb6dpY8
InChI InChI=1S/C17H19FO2/c18-15-3-1-2-12(9-15)17(19)20-16-13-5-10-4-11(7-13)8-14(16)6-10/h1-3,9-11,13-14,16H,4-8H2/t10-,11+,13-,14+,16-
InChIKey KZUOSVJRJFSWRA-MAZMOSSOSA-N
Mol Weight 274.34 g/mol
Molecular Formula C17H19FO2
Exact Mass 274.136908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGeQDihwCTd
Name 3-Fluorobenzoic acid, 2-adamantyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.136908013 u
Formula C17H19FO2
InChI InChI=1S/C17H19FO2/c18-15-3-1-2-12(9-15)17(19)20-16-13-5-10-4-11(7-13)8-14(16)6-10/h1-3,9-11,13-14,16H,4-8H2/t10-,11+,13-,14+,16-
InChIKey KZUOSVJRJFSWRA-MAZMOSSOSA-N
Molecular Weight 274.335 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2OC(=O)C2=CC=CC(=C2)F)(C[C@](C1)(C3)[H])[H])[H])[H]