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Sebacic acid, hexyl 4-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexyl 4-isopropoxyphenyl ester
SpectraBase Compound ID 8qzzTIzVkpJ
InChI InChI=1S/C25H40O5/c1-4-5-6-13-20-28-24(26)14-11-9-7-8-10-12-15-25(27)30-23-18-16-22(17-19-23)29-21(2)3/h16-19,21H,4-15,20H2,1-3H3
InChIKey PVYAKQAULGFOSX-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FxEbz8Ma0n
Name Sebacic acid, hexyl 4-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-4-5-6-13-20-28-24(26)14-11-9-7-8-10-12-15-25(27)30-23-18-16-22(17-19-23)29-21(2)3/h16-19,21H,4-15,20H2,1-3H3
InChIKey PVYAKQAULGFOSX-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(OC(C)C)C=C1)=O)C(OCCCCCC)=O