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Isophthalic acid, decyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, decyl 2-propylphenyl ester
SpectraBase Compound ID J7MEV3xwBvt
InChI InChI=1S/C27H36O4/c1-3-5-6-7-8-9-10-13-20-30-26(28)23-17-14-18-24(21-23)27(29)31-25-19-12-11-16-22(25)15-4-2/h11-12,14,16-19,21H,3-10,13,15,20H2,1-2H3
InChIKey NFAZLBSQRNSLOS-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 KwIZgoizHsA
Name Isophthalic acid, decyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-3-5-6-7-8-9-10-13-20-30-26(28)23-17-14-18-24(21-23)27(29)31-25-19-12-11-16-22(25)15-4-2/h11-12,14,16-19,21H,3-10,13,15,20H2,1-2H3
InChIKey NFAZLBSQRNSLOS-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCC)C(OC=1C(CCC)=CC=CC1)=O