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Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-nitrobenzyl ester

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Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-nitrobenzyl ester
SpectraBase Compound ID J9B7GKz8Rln
InChI InChI=1S/C15H16F3NO6/c1-10(15(16,17)18)25-14(21)7-3-6-13(20)24-9-11-4-2-5-12(8-11)19(22)23/h2,4-5,8,10H,3,6-7,9H2,1H3
InChIKey XLNKOSULOGOSHJ-UHFFFAOYSA-N
Mol Weight 363.29 g/mol
Molecular Formula C15H16F3NO6
Exact Mass 363.092972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2jiaZ2d8A8
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.092971722 u
Formula C15H16F3NO6
InChI InChI=1S/C15H16F3NO6/c1-10(15(16,17)18)25-14(21)7-3-6-13(20)24-9-11-4-2-5-12(8-11)19(22)23/h2,4-5,8,10H,3,6-7,9H2,1H3
InChIKey XLNKOSULOGOSHJ-UHFFFAOYSA-N
Molecular Weight 363.289 g/mol
SMILES C(CCC(OC(C(F)(F)F)C)=O)C(OCC=1C=CC=C(N(=O)=O)C1)=O