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Isophthalic acid, 3,3-dimethylbut-2-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,3-dimethylbut-2-yl pentadecyl ester
SpectraBase Compound ID LEwCFkbEvEh
InChI InChI=1S/C29H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)25-20-19-21-26(23-25)28(31)33-24(2)29(3,4)5/h19-21,23-24H,6-18,22H2,1-5H3
InChIKey HGOGDLVEYRADDR-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 2FQ3oE7KbBi
Name Isophthalic acid, 3,3-dimethylbut-2-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)25-20-19-21-26(23-25)28(31)33-24(2)29(3,4)5/h19-21,23-24H,6-18,22H2,1-5H3
InChIKey HGOGDLVEYRADDR-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1(=CC=CC(=C1)C(OC(C(C)(C)C)C)=O)C(=O)OCCCCCCCCCCCCCCC