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Glutaric acid, butyl 3-phenoxybenzyl ester
SpectraBase Compound ID 6YM89bvhHPT
InChI InChI=1S/C22H26O5/c1-2-3-15-25-21(23)13-8-14-22(24)26-17-18-9-7-12-20(16-18)27-19-10-5-4-6-11-19/h4-7,9-12,16H,2-3,8,13-15,17H2,1H3
InChIKey RYWXBSFWRKPRBH-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FetbjhKSJqI
Name Glutaric acid, butyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-2-3-15-25-21(23)13-8-14-22(24)26-17-18-9-7-12-20(16-18)27-19-10-5-4-6-11-19/h4-7,9-12,16H,2-3,8,13-15,17H2,1H3
InChIKey RYWXBSFWRKPRBH-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES CCCCOC(CCCC(OCC1=CC(=CC=C1)OC1=CC=CC=C1)=O)=O