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Phthalic acid, 3-methylbutyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylbutyl tridecyl ester
SpectraBase Compound ID 8OO0c86dp9K
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-16-20-29-25(27)23-17-14-15-18-24(23)26(28)30-21-19-22(2)3/h14-15,17-18,22H,4-13,16,19-21H2,1-3H3
InChIKey OWXYFEKKBISACP-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 JgB6wJamJoq
Name Phthalic acid, 3-methylbutyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-16-20-29-25(27)23-17-14-15-18-24(23)26(28)30-21-19-22(2)3/h14-15,17-18,22H,4-13,16,19-21H2,1-3H3
InChIKey OWXYFEKKBISACP-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=C(C(=CC=C1)C(OCCCCCCCCCCCCC)=O)C(OCCC(C)C)=O