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Isophthalic acid, heptyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, heptyl 4-isopropylphenyl ester
SpectraBase Compound ID GffQFAGoeu0
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-16-27-23(25)20-10-9-11-21(17-20)24(26)28-22-14-12-19(13-15-22)18(2)3/h9-15,17-18H,4-8,16H2,1-3H3
InChIKey FZVQUCRXTNTDLH-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eG2Hkq1uQr
Name Isophthalic acid, heptyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-16-27-23(25)20-10-9-11-21(17-20)24(26)28-22-14-12-19(13-15-22)18(2)3/h9-15,17-18H,4-8,16H2,1-3H3
InChIKey FZVQUCRXTNTDLH-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCCC)=O)=O)C(C)C