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Phthalic acid, decyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl isohexyl ester
SpectraBase Compound ID JundWegdyp6
InChI InChI=1S/C24H38O4/c1-4-5-6-7-8-9-10-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-14-15-20(2)3/h11-12,16-17,20H,4-10,13-15,18-19H2,1-3H3
InChIKey QKZJGOACRCWKDD-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34K2urLoyId
Name Phthalic acid, decyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-4-5-6-7-8-9-10-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-14-15-20(2)3/h11-12,16-17,20H,4-10,13-15,18-19H2,1-3H3
InChIKey QKZJGOACRCWKDD-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1=C(C(C(=O)OCCCCCCCCCC)=CC=C1)C(=O)OCCCC(C)C