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(2S,3R)-Ethyl 2-fluoro-2-nitro-3-(4-nitrophenyl)-5-oxohexanoate
SpectraBase Compound ID COpmYJQyoOe
InChI InChI=1S/C14H15FN2O7/c1-3-24-13(19)14(15,17(22)23)12(8-9(2)18)10-4-6-11(7-5-10)16(20)21/h4-7,12H,3,8H2,1-2H3/t12-,14+/m1/s1
InChIKey QYJPOIHGYRFEAK-OCCSQVGLSA-N
Mol Weight 342.28 g/mol
Molecular Formula C14H15FN2O7
Exact Mass 342.086329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HanbwhoIG4O
Name (2S,3R)-Ethyl 2-fluoro-2-nitro-3-(4-nitrophenyl)-5-oxohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15FN2O7
InChI InChI=1S/C14H15FN2O7/c1-3-24-13(19)14(15,17(22)23)12(8-9(2)18)10-4-6-11(7-5-10)16(20)21/h4-7,12H,3,8H2,1-2H3/t12-,14+/m1/s1
InChIKey QYJPOIHGYRFEAK-OCCSQVGLSA-N
Molecular Weight 342.279 g/mol
SMILES [C@@](N(=O)=O)([C@@](c1ccc(N(=O)=O)cc1)(CC(=O)C)[H])(C(=O)OCC)F
SPLASH splash10-0006-9030000000-4e6083a421a2ff19d6df
Source of Spectrum F-67-315-4g
Wiley ID 1713106