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Phthalic acid, decyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, decyl 2-ethylhexyl ester
SpectraBase Compound ID Cdb10gVCQLF
InChI InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h14-15,18-19,22H,4-13,16-17,20-21H2,1-3H3
InChIKey GMMDKTJONHGTSN-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 1lhHUb5Alrf
Name Phthalic acid, decyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h14-15,18-19,22H,4-13,16-17,20-21H2,1-3H3
InChIKey GMMDKTJONHGTSN-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=C(C(C(OCCCCCCCCCC)=O)=CC=C1)C(=O)OCC(CC)CCCC