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Sebacic acid, heptyl 2-phenoxyethyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, heptyl 2-phenoxyethyl ester
SpectraBase Compound ID JfqzKH4lenj
InChI InChI=1S/C25H40O5/c1-2-3-4-9-15-20-29-24(26)18-13-7-5-6-8-14-19-25(27)30-22-21-28-23-16-11-10-12-17-23/h10-12,16-17H,2-9,13-15,18-22H2,1H3
InChIKey YHJAQEDFWIYTIE-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0MZAyrRdgy
Name Sebacic acid, heptyl 2-phenoxyethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-2-3-4-9-15-20-29-24(26)18-13-7-5-6-8-14-19-25(27)30-22-21-28-23-16-11-10-12-17-23/h10-12,16-17H,2-9,13-15,18-22H2,1H3
InChIKey YHJAQEDFWIYTIE-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C(CCCCCCC(OCCCCCCC)=O)CC(OCCOC1=CC=CC=C1)=O