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Sebacic acid, di(2-phenoxyethyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(2-phenoxyethyl) ester
SpectraBase Compound ID 9QrEF9KoR8i
InChI InChI=1S/C26H34O6/c27-25(31-21-19-29-23-13-7-5-8-14-23)17-11-3-1-2-4-12-18-26(28)32-22-20-30-24-15-9-6-10-16-24/h5-10,13-16H,1-4,11-12,17-22H2
InChIKey CCOHSRRJVBDUOH-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C26H34O6
Exact Mass 442.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2A31OlbROYE
Name Sebacic acid, di(2-phenoxyethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 442.235538809 u
Formula C26H34O6
InChI InChI=1S/C26H34O6/c27-25(31-21-19-29-23-13-7-5-8-14-23)17-11-3-1-2-4-12-18-26(28)32-22-20-30-24-15-9-6-10-16-24/h5-10,13-16H,1-4,11-12,17-22H2
InChIKey CCOHSRRJVBDUOH-UHFFFAOYSA-N
Molecular Weight 442.552 g/mol
SMILES C(CCCCCCC(OCCOC1=CC=CC=C1)=O)CC(OCCOC1=CC=CC=C1)=O