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Glutaric acid, 2-methoxyphenyl undecyl ester
SpectraBase Compound ID HYKkpi1cvrn
InChI InChI=1S/C23H36O5/c1-3-4-5-6-7-8-9-10-13-19-27-22(24)17-14-18-23(25)28-21-16-12-11-15-20(21)26-2/h11-12,15-16H,3-10,13-14,17-19H2,1-2H3
InChIKey XMABFUVFXQUITK-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5eci3DINjN
Name Glutaric acid, 2-methoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-3-4-5-6-7-8-9-10-13-19-27-22(24)17-14-18-23(25)28-21-16-12-11-15-20(21)26-2/h11-12,15-16H,3-10,13-14,17-19H2,1-2H3
InChIKey XMABFUVFXQUITK-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES CCCCCCCCCCCOC(CCCC(OC1=CC=CC=C1OC)=O)=O