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Phthalic acid, hexyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl tetradecyl ester
SpectraBase Compound ID Fb8aUSSk1ci
InChI InChI=1S/C28H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKey XMHWFFXCEHXIBR-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJj13DAn3ZJ
Name Phthalic acid, hexyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKey XMHWFFXCEHXIBR-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCC)=O)C(OCCCCCC)=O