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Isophthalic acid, isopropyl octadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, isopropyl octadecyl ester
SpectraBase Compound ID 3LpjGVEK8W0
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-28(30)26-21-20-22-27(24-26)29(31)33-25(2)3/h20-22,24-25H,4-19,23H2,1-3H3
InChIKey GXQGYDBMJSWZCK-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Eu206BlbKQ
Name Isophthalic acid, isopropyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-28(30)26-21-20-22-27(24-26)29(31)33-25(2)3/h20-22,24-25H,4-19,23H2,1-3H3
InChIKey GXQGYDBMJSWZCK-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(OC(C1=CC(C(OCCCCCCCCCCCCCCCCCC)=O)=CC=C1)=O)(C)C