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Terephthalic acid, 4-isopropylphenyl pentyl ester

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Terephthalic acid, 4-isopropylphenyl pentyl ester
SpectraBase Compound ID KfnN6FoIWVA
InChI InChI=1S/C22H26O4/c1-4-5-6-15-25-21(23)18-7-9-19(10-8-18)22(24)26-20-13-11-17(12-14-20)16(2)3/h7-14,16H,4-6,15H2,1-3H3
InChIKey PGFPRQPGFWTYSL-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1h9pBP0viek
Name Terephthalic acid, 4-isopropylphenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-4-5-6-15-25-21(23)18-7-9-19(10-8-18)22(24)26-20-13-11-17(12-14-20)16(2)3/h7-14,16H,4-6,15H2,1-3H3
InChIKey PGFPRQPGFWTYSL-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCC)=O)C(OC1=CC=C(C(C)C)C=C1)=O