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Phthalic acid, butyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl tetradecyl ester
SpectraBase Compound ID CEjMjulTV5m
InChI InChI=1S/C26H42O4/c1-3-5-7-8-9-10-11-12-13-14-15-18-22-30-26(28)24-20-17-16-19-23(24)25(27)29-21-6-4-2/h16-17,19-20H,3-15,18,21-22H2,1-2H3
InChIKey UBKBKYQIPBPYHZ-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 IJhjFDZr7yv
Name Phthalic acid, butyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-3-5-7-8-9-10-11-12-13-14-15-18-22-30-26(28)24-20-17-16-19-23(24)25(27)29-21-6-4-2/h16-17,19-20H,3-15,18,21-22H2,1-2H3
InChIKey UBKBKYQIPBPYHZ-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1(=CC=CC=C1C(OCCCC)=O)C(OCCCCCCCCCCCCCC)=O