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

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Phthalic acid, tetradecyl trans-hex-3-enyl ester
SpectraBase Compound ID 9AhzxTlhZyd
InChI InChI=1S/C28H44O4/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-8-6-4-2/h6,8,17-18,21-22H,3-5,7,9-16,19-20,23-24H2,1-2H3/b8-6+
InChIKey BAODKCCXUCGTKT-SOFGYWHQSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 612Vp8s7RFg
Name Phthalic acid, tetradecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-8-6-4-2/h6,8,17-18,21-22H,3-5,7,9-16,19-20,23-24H2,1-2H3/b8-6+
InChIKey BAODKCCXUCGTKT-SOFGYWHQSA-N
Molecular Weight 444.656 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCC)=O)C(OCC\C=C\CC)=O