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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylpent-3-yl octadecyl ester
SpectraBase Compound ID 3Ha2NIuQaej
InChI InChI=1S/C32H54O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-31(33)28-24-21-22-25-29(28)32(34)36-30(6-2)27(3)4/h21-22,24-25,27,30H,5-20,23,26H2,1-4H3
InChIKey ZGKJCAYADSVUJQ-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KgWgYosJtRI
Name Phthalic acid, 2-methylpent-3-yl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-31(33)28-24-21-22-25-29(28)32(34)36-30(6-2)27(3)4/h21-22,24-25,27,30H,5-20,23,26H2,1-4H3
InChIKey ZGKJCAYADSVUJQ-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCCCCCCCCC