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Phthalic acid, 2-ethylbutyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylbutyl tridecyl ester
SpectraBase Compound ID C3FK8wGW46Z
InChI InChI=1S/C27H44O4/c1-4-7-8-9-10-11-12-13-14-15-18-21-30-26(28)24-19-16-17-20-25(24)27(29)31-22-23(5-2)6-3/h16-17,19-20,23H,4-15,18,21-22H2,1-3H3
InChIKey DOQYDWNCMOIGNZ-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVGFZhZ4yUZ
Name Phthalic acid, 2-ethylbutyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-7-8-9-10-11-12-13-14-15-18-21-30-26(28)24-19-16-17-20-25(24)27(29)31-22-23(5-2)6-3/h16-17,19-20,23H,4-15,18,21-22H2,1-3H3
InChIKey DOQYDWNCMOIGNZ-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCC)C(OCC(CC)CC)=O