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Glutaric acid, hept-2-yl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hept-2-yl 3-phenoxybenzyl ester
SpectraBase Compound ID 5x8Qes7LwRG
InChI InChI=1S/C25H32O5/c1-3-4-6-11-20(2)29-25(27)17-10-16-24(26)28-19-21-12-9-15-23(18-21)30-22-13-7-5-8-14-22/h5,7-9,12-15,18,20H,3-4,6,10-11,16-17,19H2,1-2H3
InChIKey HIJHXBZQBZGPQT-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 3oLP6D29kMd
Name Glutaric acid, hept-2-yl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-3-4-6-11-20(2)29-25(27)17-10-16-24(26)28-19-21-12-9-15-23(18-21)30-22-13-7-5-8-14-22/h5,7-9,12-15,18,20H,3-4,6,10-11,16-17,19H2,1-2H3
InChIKey HIJHXBZQBZGPQT-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES C(CCC(OC(C)CCCCC)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O