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Phthalic acid, 5-methylhex-2-yl tridecyl ester

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

Phthalic acid, 5-methylhex-2-yl tridecyl ester
SpectraBase Compound ID 8QwM0zXmPTq
InChI InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-17-22-31-27(29)25-18-15-16-19-26(25)28(30)32-24(4)21-20-23(2)3/h15-16,18-19,23-24H,5-14,17,20-22H2,1-4H3
InChIKey PYFUYAUFVQAMGK-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89O9lLHXXQJ
Name Phthalic acid, 5-methylhex-2-yl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-17-22-31-27(29)25-18-15-16-19-26(25)28(30)32-24(4)21-20-23(2)3/h15-16,18-19,23-24H,5-14,17,20-22H2,1-4H3
InChIKey PYFUYAUFVQAMGK-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCC)=O)C(OC(C)CCC(C)C)=O