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Phthalic acid, 6-methylhept-2-yl undecyl ester

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

Phthalic acid, 6-methylhept-2-yl undecyl ester
SpectraBase Compound ID 5nFAHpRosoS
InChI InChI=1S/C27H44O4/c1-5-6-7-8-9-10-11-12-15-21-30-26(28)24-19-13-14-20-25(24)27(29)31-23(4)18-16-17-22(2)3/h13-14,19-20,22-23H,5-12,15-18,21H2,1-4H3
InChIKey UUYHGTCDUTZBSR-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 AkOQ5zOXrRj
Name Phthalic acid, 6-methylhept-2-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-5-6-7-8-9-10-11-12-15-21-30-26(28)24-19-13-14-20-25(24)27(29)31-23(4)18-16-17-22(2)3/h13-14,19-20,22-23H,5-12,15-18,21H2,1-4H3
InChIKey UUYHGTCDUTZBSR-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCCCCCCC)=O