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Phthalic acid, 2-methylpent-3-yl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylpent-3-yl tridecyl ester
SpectraBase Compound ID 37xMZBxcCLj
InChI InChI=1S/C27H44O4/c1-5-7-8-9-10-11-12-13-14-15-18-21-30-26(28)23-19-16-17-20-24(23)27(29)31-25(6-2)22(3)4/h16-17,19-20,22,25H,5-15,18,21H2,1-4H3
InChIKey BGZVWPFILCIGEG-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 AyQRhA2s8v6
Name Phthalic acid, 2-methylpent-3-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-5-7-8-9-10-11-12-13-14-15-18-21-30-26(28)23-19-16-17-20-24(23)27(29)31-25(6-2)22(3)4/h16-17,19-20,22,25H,5-15,18,21H2,1-4H3
InChIKey BGZVWPFILCIGEG-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCCCC