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Sebacic acid, isobutyl 4-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, isobutyl 4-isopropoxyphenyl ester
SpectraBase Compound ID FO7mrIE6xSv
InChI InChI=1S/C23H36O5/c1-18(2)17-26-22(24)11-9-7-5-6-8-10-12-23(25)28-21-15-13-20(14-16-21)27-19(3)4/h13-16,18-19H,5-12,17H2,1-4H3
InChIKey WWZURHKTHGBGRQ-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3IcHMBwqUs
Name Sebacic acid, isobutyl 4-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-18(2)17-26-22(24)11-9-7-5-6-8-10-12-23(25)28-21-15-13-20(14-16-21)27-19(3)4/h13-16,18-19H,5-12,17H2,1-4H3
InChIKey WWZURHKTHGBGRQ-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(OC(C)C)C=C1)=O)C(OCC(C)C)=O