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Terephthalic acid, 2-adamantyl ethyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-adamantyl ethyl ester
SpectraBase Compound ID 4sMQfL3KYu
InChI InChI=1S/C20H24O4/c1-2-23-19(21)14-3-5-15(6-4-14)20(22)24-18-16-8-12-7-13(10-16)11-17(18)9-12/h3-6,12-13,16-18H,2,7-11H2,1H3/t12-,13+,16-,17+,18?
InChIKey RPSLXEUFUWOGIW-PQXGLPLLSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LmEnlNT8ePW
Name Terephthalic acid, 2-adamantyl ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 328.167459249 u
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-2-23-19(21)14-3-5-15(6-4-14)20(22)24-18-16-8-12-7-13(10-16)11-17(18)9-12/h3-6,12-13,16-18H,2,7-11H2,1H3/t12-,13+,16-,17+,18?
InChIKey RPSLXEUFUWOGIW-PQXGLPLLSA-N
Molecular Weight 328.408 g/mol
SMILES C1=CC(=CC=C1C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O)C(OCC)=O