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

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

Phthalic acid, 6-methylhept-2-yl tridecyl ester
SpectraBase Compound ID FrSHTAyUgiG
InChI InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-17-23-32-28(30)26-21-15-16-22-27(26)29(31)33-25(4)20-18-19-24(2)3/h15-16,21-22,24-25H,5-14,17-20,23H2,1-4H3
InChIKey ILTIGDBNVUDGGH-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 ACGqnXmtfQN
Name Phthalic acid, 6-methylhept-2-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-17-23-32-28(30)26-21-15-16-22-27(26)29(31)33-25(4)20-18-19-24(2)3/h15-16,21-22,24-25H,5-14,17-20,23H2,1-4H3
InChIKey ILTIGDBNVUDGGH-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCCCCCCCCC)=O