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Glutaric acid, 2-fluorophenyl 3-nitrobenzyl ester
SpectraBase Compound ID Aq5hemAxFux
InChI InChI=1S/C18H16FNO6/c19-15-7-1-2-8-16(15)26-18(22)10-4-9-17(21)25-12-13-5-3-6-14(11-13)20(23)24/h1-3,5-8,11H,4,9-10,12H2
InChIKey FNBBSSTYTXOSTI-UHFFFAOYSA-N
Mol Weight 361.33 g/mol
Molecular Formula C18H16FNO6
Exact Mass 361.096165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Im7RmuG3BFf
Name Glutaric acid, 2-fluorophenyl 3-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 361.096165396 u
Formula C18H16FNO6
InChI InChI=1S/C18H16FNO6/c19-15-7-1-2-8-16(15)26-18(22)10-4-9-17(21)25-12-13-5-3-6-14(11-13)20(23)24/h1-3,5-8,11H,4,9-10,12H2
InChIKey FNBBSSTYTXOSTI-UHFFFAOYSA-N
Molecular Weight 361.325 g/mol
SMILES C(CCC(OC1=CC=CC=C1F)=O)C(OCC=1C=CC=C(N(=O)=O)C1)=O