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Glutaric acid, heptyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, heptyl 3-phenoxybenzyl ester
SpectraBase Compound ID K6KNg4GsRDL
InChI InChI=1S/C25H32O5/c1-2-3-4-5-9-18-28-24(26)16-11-17-25(27)29-20-21-12-10-15-23(19-21)30-22-13-7-6-8-14-22/h6-8,10,12-15,19H,2-5,9,11,16-18,20H2,1H3
InChIKey RUMQQMXVKNMQHS-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 2oTomr9EqYU
Name Glutaric acid, heptyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-2-3-4-5-9-18-28-24(26)16-11-17-25(27)29-20-21-12-10-15-23(19-21)30-22-13-7-6-8-14-22/h6-8,10,12-15,19H,2-5,9,11,16-18,20H2,1H3
InChIKey RUMQQMXVKNMQHS-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES CCCCCCCOC(CCCC(OCC1=CC(=CC=C1)OC1=CC=CC=C1)=O)=O