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Isophthalic acid, 1-propylbutyl undecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 1-propylbutyl undecyl ester
SpectraBase Compound ID GHrboxQrKtJ
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-20-29-25(27)22-18-15-19-23(21-22)26(28)30-24(16-5-2)17-6-3/h15,18-19,21,24H,4-14,16-17,20H2,1-3H3
InChIKey PZTCCUMEDJNART-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BQBuiEzpwp
Name Isophthalic acid, 1-propylbutyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-20-29-25(27)22-18-15-19-23(21-22)26(28)30-24(16-5-2)17-6-3/h15,18-19,21,24H,4-14,16-17,20H2,1-3H3
InChIKey PZTCCUMEDJNART-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCC)C(OC(CCC)CCC)=O