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Phthalic acid, 2-adamantyl methyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-adamantyl methyl ester
SpectraBase Compound ID 8mAfOoR4768
InChI InChI=1S/C19H22O4/c1-22-18(20)15-4-2-3-5-16(15)19(21)23-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3/t11-,12+,13-,14+,17?
InChIKey FNVKVWAUBBTTNN-YDEZSTMJSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9PswHSjdMA
Name Phthalic acid, 2-adamantyl methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 314.151809184 u
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-22-18(20)15-4-2-3-5-16(15)19(21)23-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3/t11-,12+,13-,14+,17?
InChIKey FNVKVWAUBBTTNN-YDEZSTMJSA-N
Molecular Weight 314.381 g/mol
SMILES C1(=C(C=CC=C1)C(OC)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O