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Isophthalic acid, 2-ethylbutyl tetradecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-ethylbutyl tetradecyl ester
SpectraBase Compound ID GEiH2PNeBQO
InChI InChI=1S/C28H46O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-31-27(29)25-19-18-20-26(22-25)28(30)32-23-24(5-2)6-3/h18-20,22,24H,4-17,21,23H2,1-3H3
InChIKey QHVJJMMYPUSPCU-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 D3JPb2yx4zz
Name Isophthalic acid, 2-ethylbutyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-31-27(29)25-19-18-20-26(22-25)28(30)32-23-24(5-2)6-3/h18-20,22,24H,4-17,21,23H2,1-3H3
InChIKey QHVJJMMYPUSPCU-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCC)C(OCC(CC)CC)=O