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Sebacic acid, octyl 2-phenoxyethyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, octyl 2-phenoxyethyl ester
SpectraBase Compound ID CQEJjwoM4ch
InChI InChI=1S/C26H42O5/c1-2-3-4-5-10-16-21-30-25(27)19-14-8-6-7-9-15-20-26(28)31-23-22-29-24-17-12-11-13-18-24/h11-13,17-18H,2-10,14-16,19-23H2,1H3
InChIKey SDQKTGARNVTMFF-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErOhgTeQWy9
Name Sebacic acid, octyl 2-phenoxyethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.303224447 u
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-2-3-4-5-10-16-21-30-25(27)19-14-8-6-7-9-15-20-26(28)31-23-22-29-24-17-12-11-13-18-24/h11-13,17-18H,2-10,14-16,19-23H2,1H3
InChIKey SDQKTGARNVTMFF-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES C(CCCCCCC(OCCCCCCCC)=O)CC(OCCOC1=CC=CC=C1)=O