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Phthalic acid, 4-octyl undecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 4-octyl undecyl ester
SpectraBase Compound ID DvQOa40zOQj
InChI InChI=1S/C27H44O4/c1-4-7-9-10-11-12-13-14-17-22-30-26(28)24-20-15-16-21-25(24)27(29)31-23(18-6-3)19-8-5-2/h15-16,20-21,23H,4-14,17-19,22H2,1-3H3
InChIKey ZHYRSMQQWHZZNO-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HD5vDvH0lAS
Name Phthalic acid, 4-octyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-7-9-10-11-12-13-14-17-22-30-26(28)24-20-15-16-21-25(24)27(29)31-23(18-6-3)19-8-5-2/h15-16,20-21,23H,4-14,17-19,22H2,1-3H3
InChIKey ZHYRSMQQWHZZNO-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(CC(OC(C1=C(C(OCCCCCCCCCCC)=O)C=CC=C1)=O)CCC)CC