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Sebacic acid, 4-phenoxybenzyl propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Sebacic acid, 4-phenoxybenzyl propyl ester
SpectraBase Compound ID IjBv0nqjiUu
InChI InChI=1S/C26H34O5/c1-2-20-29-25(27)14-10-5-3-4-6-11-15-26(28)30-21-22-16-18-24(19-17-22)31-23-12-8-7-9-13-23/h7-9,12-13,16-19H,2-6,10-11,14-15,20-21H2,1H3
InChIKey NBHFLUCFRQJSST-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C26H34O5
Exact Mass 426.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28kYxbswLtE
Name Sebacic acid, 4-phenoxybenzyl propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.240624190 u
Formula C26H34O5
InChI InChI=1S/C26H34O5/c1-2-20-29-25(27)14-10-5-3-4-6-11-15-26(28)30-21-22-16-18-24(19-17-22)31-23-12-8-7-9-13-23/h7-9,12-13,16-19H,2-6,10-11,14-15,20-21H2,1H3
InChIKey NBHFLUCFRQJSST-UHFFFAOYSA-N
Molecular Weight 426.553 g/mol
SMILES C(C(OCC1=CC=C(C=C1)OC1=CC=CC=C1)=O)CCCCCCCC(OCCC)=O