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Glutaric acid, naphth-2-ylmethyl 4-fluoro-2-methoxyphenyl ester
SpectraBase Compound ID 81IaDvdcQNE
InChI InChI=1S/C23H21FO5/c1-27-21-14-19(24)11-12-20(21)29-23(26)8-4-7-22(25)28-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-3,5-6,9-14H,4,7-8,15H2,1H3
InChIKey FUAMMMQROHURBX-UHFFFAOYSA-N
Mol Weight 396.41 g/mol
Molecular Formula C23H21FO5
Exact Mass 396.137302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERY1c3uKvwE
Name Glutaric acid, naphth-2-ylmethyl 4-fluoro-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.137301934 u
Formula C23H21FO5
InChI InChI=1S/C23H21FO5/c1-27-21-14-19(24)11-12-20(21)29-23(26)8-4-7-22(25)28-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-3,5-6,9-14H,4,7-8,15H2,1H3
InChIKey FUAMMMQROHURBX-UHFFFAOYSA-N
Molecular Weight 396.414 g/mol
SMILES C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC1=C(OC)C=C(C=C1)F)=O