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Phthalic acid, tetradecyl trans-dec-3-enyl ester

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Phthalic acid, tetradecyl trans-dec-3-enyl ester
SpectraBase Compound ID 1eVgRzVjse4
InChI InChI=1S/C32H52O4/c1-3-5-7-9-11-13-14-15-16-18-20-24-28-36-32(34)30-26-22-21-25-29(30)31(33)35-27-23-19-17-12-10-8-6-4-2/h17,19,21-22,25-26H,3-16,18,20,23-24,27-28H2,1-2H3/b19-17+
InChIKey LHGZSYOUUKREHJ-HTXNQAPBSA-N
Mol Weight 500.8 g/mol
Molecular Formula C32H52O4
Exact Mass 500.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRzg579DEpF
Name Phthalic acid, tetradecyl trans-dec-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.386560150 u
Formula C32H52O4
InChI InChI=1S/C32H52O4/c1-3-5-7-9-11-13-14-15-16-18-20-24-28-36-32(34)30-26-22-21-25-29(30)31(33)35-27-23-19-17-12-10-8-6-4-2/h17,19,21-22,25-26H,3-16,18,20,23-24,27-28H2,1-2H3/b19-17+
InChIKey LHGZSYOUUKREHJ-HTXNQAPBSA-N
Molecular Weight 500.764 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCC)=O)C(OCC\C=C\CCCCCC)=O