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Isophthalic acid, 2-ethylbutyl pentadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-ethylbutyl pentadecyl ester
SpectraBase Compound ID HmXC5v5IM0X
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-32-28(30)26-20-19-21-27(23-26)29(31)33-24-25(5-2)6-3/h19-21,23,25H,4-18,22,24H2,1-3H3
InChIKey QKNAURMUWSECJU-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 8vbLGv8vwd9
Name Isophthalic acid, 2-ethylbutyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-32-28(30)26-20-19-21-27(23-26)29(31)33-24-25(5-2)6-3/h19-21,23,25H,4-18,22,24H2,1-3H3
InChIKey QKNAURMUWSECJU-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCCC)C(OCC(CC)CC)=O