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Succinic acid, 2-ethylhexyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-ethylhexyl 3-phenoxybenzyl ester
SpectraBase Compound ID ET8oER6dduw
InChI InChI=1S/C25H32O5/c1-3-5-10-20(4-2)18-28-24(26)15-16-25(27)29-19-21-11-9-14-23(17-21)30-22-12-7-6-8-13-22/h6-9,11-14,17,20H,3-5,10,15-16,18-19H2,1-2H3
InChIKey SNOMUWJNAMRIIO-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3YP2Z3d9V3
Name Succinic acid, 2-ethylhexyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-3-5-10-20(4-2)18-28-24(26)15-16-25(27)29-19-21-11-9-14-23(17-21)30-22-12-7-6-8-13-22/h6-9,11-14,17,20H,3-5,10,15-16,18-19H2,1-2H3
InChIKey SNOMUWJNAMRIIO-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O