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Phthalic acid, decyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID GQqbItqe9GW
InChI InChI=1S/C26H42O4/c1-6-7-8-9-10-11-12-15-18-29-24(27)22-16-13-14-17-23(22)25(28)30-20-21(2)19-26(3,4)5/h13-14,16-17,21H,6-12,15,18-20H2,1-5H3
InChIKey GXMJDROWJFZMDM-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 Cd5G0xSKPjx
Name Phthalic acid, decyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-6-7-8-9-10-11-12-15-18-29-24(27)22-16-13-14-17-23(22)25(28)30-20-21(2)19-26(3,4)5/h13-14,16-17,21H,6-12,15,18-20H2,1-5H3
InChIKey GXMJDROWJFZMDM-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(C1=CC=CC=C1C(OCC(C)CC(C)(C)C)=O)(OCCCCCCCCCC)=O