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Terephthalic acid, butyl dec-4-enyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, butyl dec-4-enyl ester
SpectraBase Compound ID oyUqvxOkyu
InChI InChI=1S/C22H32O4/c1-3-5-7-8-9-10-11-12-18-26-22(24)20-15-13-19(14-16-20)21(23)25-17-6-4-2/h9-10,13-16H,3-8,11-12,17-18H2,1-2H3/b10-9+
InChIKey APIZHNSHIXSLGN-MDZDMXLPSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cz4PskX5Nh
Name Terephthalic acid, butyl dec-4-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-3-5-7-8-9-10-11-12-18-26-22(24)20-15-13-19(14-16-20)21(23)25-17-6-4-2/h9-10,13-16H,3-8,11-12,17-18H2,1-2H3/b10-9+
InChIKey APIZHNSHIXSLGN-MDZDMXLPSA-N
Molecular Weight 360.494 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCC)=O)C(OCCC\C=C\CCCCC)=O