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Phthalic acid, 2-(1-adamantyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(1-adamantyl)ethyl pentyl ester
SpectraBase Compound ID E6MJEx51qyu
InChI InChI=1S/C25H34O4/c1-2-3-6-10-28-23(26)21-7-4-5-8-22(21)24(27)29-11-9-25-15-18-12-19(16-25)14-20(13-18)17-25/h4-5,7-8,18-20H,2-3,6,9-17H2,1H3
InChIKey QAEIXECOOGWTKW-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ctgv3bkG3fr
Name Phthalic acid, 2-(1-adamantyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-2-3-6-10-28-23(26)21-7-4-5-8-22(21)24(27)29-11-9-25-15-18-12-19(16-25)14-20(13-18)17-25/h4-5,7-8,18-20H,2-3,6,9-17H2,1H3
InChIKey QAEIXECOOGWTKW-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES C1(=C(C=CC=C1)C(OCCCCC)=O)C(OCCC12CC3CC(C2)CC(C3)C1)=O