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Isophthalic acid, hexyl tetradecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, hexyl tetradecyl ester
SpectraBase Compound ID 8KoOM34QLNV
InChI InChI=1S/C28H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-20-25(24-26)27(29)31-22-17-8-6-4-2/h19-21,24H,3-18,22-23H2,1-2H3
InChIKey BEHGUODIBQXYEO-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 EzooS5qKITG
Name Isophthalic acid, hexyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-20-25(24-26)27(29)31-22-17-8-6-4-2/h19-21,24H,3-18,22-23H2,1-2H3
InChIKey BEHGUODIBQXYEO-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCOC(C1=CC(=CC=C1)C(OCCCCCCCCCCCCCC)=O)=O)C