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Sebacic acid, 4-phenoxybenzyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-phenoxybenzyl pentyl ester
SpectraBase Compound ID EKjt3KVDd9I
InChI InChI=1S/C28H38O5/c1-2-3-13-22-31-27(29)16-11-6-4-5-7-12-17-28(30)32-23-24-18-20-26(21-19-24)33-25-14-9-8-10-15-25/h8-10,14-15,18-21H,2-7,11-13,16-17,22-23H2,1H3
InChIKey LNTRJDNTBAOIRA-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSTFlTTtwT
Name Sebacic acid, 4-phenoxybenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.271924319 u
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-2-3-13-22-31-27(29)16-11-6-4-5-7-12-17-28(30)32-23-24-18-20-26(21-19-24)33-25-14-9-8-10-15-25/h8-10,14-15,18-21H,2-7,11-13,16-17,22-23H2,1H3
InChIKey LNTRJDNTBAOIRA-UHFFFAOYSA-N
Molecular Weight 454.607 g/mol
SMILES C(C(OCC1=CC=C(C=C1)OC1=CC=CC=C1)=O)CCCCCCCC(OCCCCC)=O