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Isophthalic acid, dodecyl phenylethyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, dodecyl phenylethyl ester
SpectraBase Compound ID EYBnDsT8nWO
InChI InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-10-14-21-31-27(29)25-18-15-19-26(23-25)28(30)32-22-20-24-16-12-11-13-17-24/h11-13,15-19,23H,2-10,14,20-22H2,1H3
InChIKey ALYNKZJDNNWBSM-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgWlkomM8wj
Name Isophthalic acid, dodecyl phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-10-14-21-31-27(29)25-18-15-19-26(23-25)28(30)32-22-20-24-16-12-11-13-17-24/h11-13,15-19,23H,2-10,14,20-22H2,1H3
InChIKey ALYNKZJDNNWBSM-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C1(=CC(=CC=C1)C(OCCCCCCCCCCCC)=O)C(OCCC1=CC=CC=C1)=O