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Sebacic acid, 2,5-dimethylphenyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-dimethylphenyl octyl ester
SpectraBase Compound ID I2TKh3OJWRo
InChI InChI=1S/C26H42O4/c1-4-5-6-7-12-15-20-29-25(27)16-13-10-8-9-11-14-17-26(28)30-24-21-22(2)18-19-23(24)3/h18-19,21H,4-17,20H2,1-3H3
InChIKey UQVNUGNZVRCMNY-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zkiVrybhaF
Name Sebacic acid, 2,5-dimethylphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-7-12-15-20-29-25(27)16-13-10-8-9-11-14-17-26(28)30-24-21-22(2)18-19-23(24)3/h18-19,21H,4-17,20H2,1-3H3
InChIKey UQVNUGNZVRCMNY-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(CCCCC(OC=1C(C)=CC=C(C)C1)=O)CCCC(OCCCCCCCC)=O