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p-Toluic acid, 2-adamantyl ester

View entire compound with spectra: 1 NMR

p-Toluic acid, 2-adamantyl ester
SpectraBase Compound ID 77F0h4lnhnH
InChI InChI=1S/C18H22O2/c1-11-2-4-14(5-3-11)18(19)20-17-15-7-12-6-13(9-15)10-16(17)8-12/h2-5,12-13,15-17H,6-10H2,1H3/t12-,13+,15-,16+,17?
InChIKey LIZCHCUUPZQFIY-JIUPGLBESA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UE9RxRifzW
Name p-Toluic acid, 2-adamantyl ester
Comments Computed using HOSE algorithm
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Exact Mass 270.161979946 u
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-11-2-4-14(5-3-11)18(19)20-17-15-7-12-6-13(9-15)10-16(17)8-12/h2-5,12-13,15-17H,6-10H2,1H3/t12-,13+,15-,16+,17?
InChIKey LIZCHCUUPZQFIY-JIUPGLBESA-N
Molecular Weight 270.372 g/mol
SMILES C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])(=O)C=1C=CC(C)=CC1