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Phthalic acid, hept-2-yl tetradecyl ester

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

Phthalic acid, hept-2-yl tetradecyl ester
SpectraBase Compound ID DqACc8sHPQP
InChI InChI=1S/C29H48O4/c1-4-6-8-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-19-23-27(26)29(31)33-25(3)21-17-7-5-2/h18-19,22-23,25H,4-17,20-21,24H2,1-3H3
InChIKey LZKOSKNNNNMMJZ-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 HCLpBB69Ip6
Name Phthalic acid, hept-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-6-8-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-19-23-27(26)29(31)33-25(3)21-17-7-5-2/h18-19,22-23,25H,4-17,20-21,24H2,1-3H3
InChIKey LZKOSKNNNNMMJZ-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=CC(=C(C=C1)C(OC(C)CCCCC)=O)C(OCCCCCCCCCCCCCC)=O