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Isophthalic acid, 1-propylbutyl tetradecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 1-propylbutyl tetradecyl ester
SpectraBase Compound ID E4ygSlFXqIx
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-23-32-28(30)25-21-18-22-26(24-25)29(31)33-27(19-5-2)20-6-3/h18,21-22,24,27H,4-17,19-20,23H2,1-3H3
InChIKey FADDANAOBKFTCC-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 Lsy1D1HcIgF
Name Isophthalic acid, 1-propylbutyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-23-32-28(30)25-21-18-22-26(24-25)29(31)33-27(19-5-2)20-6-3/h18,21-22,24,27H,4-17,19-20,23H2,1-3H3
InChIKey FADDANAOBKFTCC-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCCCCC)C(OC(CCC)CCC)=O