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Phthalic acid, decyl 2,4-dimethylpent-3-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,4-dimethylpent-3-yl ester
SpectraBase Compound ID 1AVeWrSZ8jW
InChI InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-15-18-28-24(26)21-16-13-14-17-22(21)25(27)29-23(19(2)3)20(4)5/h13-14,16-17,19-20,23H,6-12,15,18H2,1-5H3
InChIKey OEDMKLVJTYWPEO-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KkqpEg6knVd
Name Phthalic acid, decyl 2,4-dimethylpent-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-15-18-28-24(26)21-16-13-14-17-22(21)25(27)29-23(19(2)3)20(4)5/h13-14,16-17,19-20,23H,6-12,15,18H2,1-5H3
InChIKey OEDMKLVJTYWPEO-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCC)C(OC(C(C)C)C(C)C)=O