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Phthalic acid, heptyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl undecyl ester
SpectraBase Compound ID HB9MqYFXC5P
InChI InChI=1S/C26H42O4/c1-3-5-7-9-10-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
InChIKey ILVKYQKHSCWQAW-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 2hFI9KxqgQV
Name Phthalic acid, heptyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-3-5-7-9-10-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
InChIKey ILVKYQKHSCWQAW-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCC)=O)C(OCCCCCCCCCCC)=O