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Phthalic acid, 4-methylhept-3-yl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-methylhept-3-yl tridecyl ester
SpectraBase Compound ID 6mEOS7Zjwl8
InChI InChI=1S/C29H48O4/c1-5-8-9-10-11-12-13-14-15-16-19-23-32-28(30)25-21-17-18-22-26(25)29(31)33-27(7-3)24(4)20-6-2/h17-18,21-22,24,27H,5-16,19-20,23H2,1-4H3
InChIKey KNGDNYYFMTZMNK-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 AYA4NFZwY2k
Name Phthalic acid, 4-methylhept-3-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-8-9-10-11-12-13-14-15-16-19-23-32-28(30)25-21-17-18-22-26(25)29(31)33-27(7-3)24(4)20-6-2/h17-18,21-22,24,27H,5-16,19-20,23H2,1-4H3
InChIKey KNGDNYYFMTZMNK-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCCCCCCC)=O