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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-methylhex-2-yl tetradecyl ester
SpectraBase Compound ID 1bH3n9ruVhP
InChI InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-32-28(30)26-19-16-17-20-27(26)29(31)33-25(4)22-21-24(2)3/h16-17,19-20,24-25H,5-15,18,21-23H2,1-4H3
InChIKey QULHYKVKTRACEB-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 7YJaSbWCCQF
Name Phthalic acid, 5-methylhex-2-yl tetradecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-32-28(30)26-19-16-17-20-27(26)29(31)33-25(4)22-21-24(2)3/h16-17,19-20,24-25H,5-15,18,21-23H2,1-4H3
InChIKey QULHYKVKTRACEB-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCC)=O)C(OC(C)CCC(C)C)=O