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Phthalic acid, dec-2-yl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dec-2-yl octyl ester
SpectraBase Compound ID FQ0BZGXVKZS
InChI InChI=1S/C26H42O4/c1-4-6-8-10-12-14-18-22(3)30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-11-9-7-5-2/h15-16,19-20,22H,4-14,17-18,21H2,1-3H3
InChIKey BERJMGOMZBTNDD-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dh7jwyIOEhX
Name Phthalic acid, dec-2-yl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-6-8-10-12-14-18-22(3)30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-11-9-7-5-2/h15-16,19-20,22H,4-14,17-18,21H2,1-3H3
InChIKey BERJMGOMZBTNDD-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCC)=O)C(OC(C)CCCCCCCC)=O