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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylpent-3-yl pentadecyl ester
SpectraBase Compound ID 9Dg4lW0dowL
InChI InChI=1S/C29H48O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)25-21-18-19-22-26(25)29(31)33-27(6-2)24(3)4/h18-19,21-22,24,27H,5-17,20,23H2,1-4H3
InChIKey VLMZKVOIDKFWHY-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 AkOJE82Z11b
Name Phthalic acid, 2-methylpent-3-yl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)25-21-18-19-22-26(25)29(31)33-27(6-2)24(3)4/h18-19,21-22,24,27H,5-17,20,23H2,1-4H3
InChIKey VLMZKVOIDKFWHY-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCCCCCC