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Succinic acid, 4-phenoxybenzyl undecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-phenoxybenzyl undecyl ester
SpectraBase Compound ID Jgm9VzQ57MC
InChI InChI=1S/C28H38O5/c1-2-3-4-5-6-7-8-9-13-22-31-27(29)20-21-28(30)32-23-24-16-18-26(19-17-24)33-25-14-11-10-12-15-25/h10-12,14-19H,2-9,13,20-23H2,1H3
InChIKey IJLLHNRBIQDTND-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 9Jw8AZSyaYY
Name Succinic acid, 4-phenoxybenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.271924319 u
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-2-3-4-5-6-7-8-9-13-22-31-27(29)20-21-28(30)32-23-24-16-18-26(19-17-24)33-25-14-11-10-12-15-25/h10-12,14-19H,2-9,13,20-23H2,1H3
InChIKey IJLLHNRBIQDTND-UHFFFAOYSA-N
Molecular Weight 454.607 g/mol
SMILES C(CC(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O)C(OCCCCCCCCCCC)=O