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Isophthalic acid, 3,7-dimethyloct-6-enyl undecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,7-dimethyloct-6-enyl undecyl ester
SpectraBase Compound ID DkdOWIYlBMQ
InChI InChI=1S/C29H46O4/c1-5-6-7-8-9-10-11-12-13-21-32-28(30)26-18-15-19-27(23-26)29(31)33-22-20-25(4)17-14-16-24(2)3/h15-16,18-19,23,25H,5-14,17,20-22H2,1-4H3
InChIKey UQYBJKZUZFISSN-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KKgNhtRG6zc
Name Isophthalic acid, 3,7-dimethyloct-6-enyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.339609957 u
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-5-6-7-8-9-10-11-12-13-21-32-28(30)26-18-15-19-27(23-26)29(31)33-22-20-25(4)17-14-16-24(2)3/h15-16,18-19,23,25H,5-14,17,20-22H2,1-4H3
InChIKey UQYBJKZUZFISSN-UHFFFAOYSA-N
Molecular Weight 458.683 g/mol
SMILES C1(=CC=CC(=C1)C(OCCC(CCC=C(C)C)C)=O)C(=O)OCCCCCCCCCCC