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Isophthalic acid, phenylethyl undecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, phenylethyl undecyl ester
SpectraBase Compound ID EAgnslT6CPT
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-9-13-20-30-26(28)24-17-14-18-25(22-24)27(29)31-21-19-23-15-11-10-12-16-23/h10-12,14-18,22H,2-9,13,19-21H2,1H3
InChIKey MZTHESWYWUYZLZ-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kb6O13MNM5c
Name Isophthalic acid, phenylethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-9-13-20-30-26(28)24-17-14-18-25(22-24)27(29)31-21-19-23-15-11-10-12-16-23/h10-12,14-18,22H,2-9,13,19-21H2,1H3
InChIKey MZTHESWYWUYZLZ-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C1=C(C=CC=C1C(OCCCCCCCCCCC)=O)C(OCCC1=CC=CC=C1)=O