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Phthalic acid, hept-4-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hept-4-yl tetradecyl ester
SpectraBase Compound ID Kz9rjx6cOsr
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-24-32-28(30)26-22-17-18-23-27(26)29(31)33-25(20-5-2)21-6-3/h17-18,22-23,25H,4-16,19-21,24H2,1-3H3
InChIKey KKUKGCGCZJKIKF-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BoSZoqa3wHV
Name Phthalic acid, hept-4-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-24-32-28(30)26-22-17-18-23-27(26)29(31)33-25(20-5-2)21-6-3/h17-18,22-23,25H,4-16,19-21,24H2,1-3H3
InChIKey KKUKGCGCZJKIKF-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCCCCCCCCCCCCCC)=O