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Isophthalic acid, decyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, decyl 4-methylpent-2-yl ester
SpectraBase Compound ID KLwg8lrShbo
InChI InChI=1S/C24H38O4/c1-5-6-7-8-9-10-11-12-16-27-23(25)21-14-13-15-22(18-21)24(26)28-20(4)17-19(2)3/h13-15,18-20H,5-12,16-17H2,1-4H3
InChIKey RFVNXQDZWRDEJM-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EK6JtxLw47T
Name Isophthalic acid, decyl 4-methylpent-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-5-6-7-8-9-10-11-12-16-27-23(25)21-14-13-15-22(18-21)24(26)28-20(4)17-19(2)3/h13-15,18-20H,5-12,16-17H2,1-4H3
InChIKey RFVNXQDZWRDEJM-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCC)C(OC(CC(C)C)C)=O