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

View entire compound with spectra: 1 NMR

Isophthalic acid, 4-methylpent-2-yl pentadecyl ester
SpectraBase Compound ID DJExMA8vFJd
InChI InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-28(30)26-19-18-20-27(23-26)29(31)33-25(4)22-24(2)3/h18-20,23-25H,5-17,21-22H2,1-4H3
InChIKey IQGURAZSQJFYRN-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 4gTKVpwS7Op
Name Isophthalic acid, 4-methylpent-2-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-28(30)26-19-18-20-27(23-26)29(31)33-25(4)22-24(2)3/h18-20,23-25H,5-17,21-22H2,1-4H3
InChIKey IQGURAZSQJFYRN-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCCCCCC)C(OC(CC(C)C)C)=O