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Sebacic acid, 2-acetylphenyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-acetylphenyl pentyl ester
SpectraBase Compound ID 2dYTJjwaEfn
InChI InChI=1S/C23H34O5/c1-3-4-13-18-27-22(25)16-9-7-5-6-8-10-17-23(26)28-21-15-12-11-14-20(21)19(2)24/h11-12,14-15H,3-10,13,16-18H2,1-2H3
InChIKey YAQYTJHYPMUSSF-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FS7EiikH65y
Name Sebacic acid, 2-acetylphenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.240624190 u
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-3-4-13-18-27-22(25)16-9-7-5-6-8-10-17-23(26)28-21-15-12-11-14-20(21)19(2)24/h11-12,14-15H,3-10,13,16-18H2,1-2H3
InChIKey YAQYTJHYPMUSSF-UHFFFAOYSA-N
Molecular Weight 390.520 g/mol
SMILES C(CCCCC(OC1=C(C(C)=O)C=CC=C1)=O)CCCC(OCCCCC)=O