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Phthalic acid, 3-methylbutyl nonadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylbutyl nonadecyl ester
SpectraBase Compound ID 2nKxT0MKkSS
InChI InChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-35-31(33)29-23-20-21-24-30(29)32(34)36-27-25-28(2)3/h20-21,23-24,28H,4-19,22,25-27H2,1-3H3
InChIKey SVZAVGJDGWREHX-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 9n6l9ZFgYrw
Name Phthalic acid, 3-methylbutyl nonadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-35-31(33)29-23-20-21-24-30(29)32(34)36-27-25-28(2)3/h20-21,23-24,28H,4-19,22,25-27H2,1-3H3
InChIKey SVZAVGJDGWREHX-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES C1=C(C(=CC=C1)C(OCCCCCCCCCCCCCCCCCCC)=O)C(OCCC(C)C)=O