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Phthalic acid, cyclobutyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclobutyl tetradecyl ester
SpectraBase Compound ID LojUZFCRtex
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-29-25(27)23-19-13-14-20-24(23)26(28)30-22-17-16-18-22/h13-14,19-20,22H,2-12,15-18,21H2,1H3
InChIKey SKUJJAJURJIUJK-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DftLbRdygKw
Name Phthalic acid, cyclobutyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-29-25(27)23-19-13-14-20-24(23)26(28)30-22-17-16-18-22/h13-14,19-20,22H,2-12,15-18,21H2,1H3
InChIKey SKUJJAJURJIUJK-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C1CCC1OC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCCCCCCCC