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

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Phthalic acid, 4-methylhept-3-yl octadecyl ester
SpectraBase Compound ID 82aPNxR3PvJ
InChI InChI=1S/C34H58O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-37-33(35)30-26-22-23-27-31(30)34(36)38-32(7-3)29(4)25-6-2/h22-23,26-27,29,32H,5-21,24-25,28H2,1-4H3
InChIKey SWUWXTWUVYOZLV-UHFFFAOYSA-N
Mol Weight 530.8 g/mol
Molecular Formula C34H58O4
Exact Mass 530.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Azbl61UMlBW
Name Phthalic acid, 4-methylhept-3-yl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.433510344 u
Formula C34H58O4
InChI InChI=1S/C34H58O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-37-33(35)30-26-22-23-27-31(30)34(36)38-32(7-3)29(4)25-6-2/h22-23,26-27,29,32H,5-21,24-25,28H2,1-4H3
InChIKey SWUWXTWUVYOZLV-UHFFFAOYSA-N
Molecular Weight 530.834 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCCCCCCCCCCCC)=O