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Sebacic acid, isobutyl 3-propylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, isobutyl 3-propylphenyl ester
SpectraBase Compound ID 8aOJ8ytaHXE
InChI InChI=1S/C23H36O4/c1-4-13-20-14-11-12-15-21(20)27-23(25)17-10-8-6-5-7-9-16-22(24)26-18-19(2)3/h11-12,14-15,19H,4-10,13,16-18H2,1-3H3
InChIKey OXSXAAPJFQAFPV-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yOiPWJ2udD
Name Sebacic acid, isobutyl 3-propylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-4-13-20-14-11-12-15-21(20)27-23(25)17-10-8-6-5-7-9-16-22(24)26-18-19(2)3/h11-12,14-15,19H,4-10,13,16-18H2,1-3H3
InChIKey OXSXAAPJFQAFPV-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(CCCCCCCCC(OCC(C)C)=O)(OC=1C(CCC)=CC=CC1)=O