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Glutaric acid, dec-2-yl phenethyl ester
SpectraBase Compound ID 1sSC5UahDhX
InChI InChI=1S/C23H36O4/c1-3-4-5-6-7-9-13-20(2)27-23(25)17-12-16-22(24)26-19-18-21-14-10-8-11-15-21/h8,10-11,14-15,20H,3-7,9,12-13,16-19H2,1-2H3
InChIKey BDENPQWOZDPVOL-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjUwqRENzoO
Name Glutaric acid, dec-2-yl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-3-4-5-6-7-9-13-20(2)27-23(25)17-12-16-22(24)26-19-18-21-14-10-8-11-15-21/h8,10-11,14-15,20H,3-7,9,12-13,16-19H2,1-2H3
InChIKey BDENPQWOZDPVOL-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(CCC(OC(CCCCCCCC)C)=O)C(OCCC1=CC=CC=C1)=O