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Sebacic acid, 4-acetylphenyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-acetylphenyl octyl ester
SpectraBase Compound ID 3vOJWe60dFf
InChI InChI=1S/C26H40O5/c1-3-4-5-6-11-14-21-30-25(28)15-12-9-7-8-10-13-16-26(29)31-24-19-17-23(18-20-24)22(2)27/h17-20H,3-16,21H2,1-2H3
InChIKey LCVVNGYIFJAOOE-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H40O5
Exact Mass 432.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JaBWVgyP5b
Name Sebacic acid, 4-acetylphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.287574383 u
Formula C26H40O5
InChI InChI=1S/C26H40O5/c1-3-4-5-6-11-14-21-30-25(28)15-12-9-7-8-10-13-16-26(29)31-24-19-17-23(18-20-24)22(2)27/h17-20H,3-16,21H2,1-2H3
InChIKey LCVVNGYIFJAOOE-UHFFFAOYSA-N
Molecular Weight 432.601 g/mol
SMILES C(CCCCC(OC1=CC=C(C(C)=O)C=C1)=O)CCCC(OCCCCCCCC)=O