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Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate
SpectraBase Compound ID EsynfzLlmEl
InChI InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3/b12-8+
InChIKey YOPMSDPIOQUWFE-XYOKQWHBSA-N
Mol Weight 263.25 g/mol
Molecular Formula C13H13NO5
Exact Mass 263.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Okf76nIiQt
Name Ethyl (2E)-2-(3-Nitrobenzylidene)-3-oxobutanoate
Alternate Name(s) Ethyl (E)-2-(3-nitrobenzylidene)-3-oxobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO5
InChI InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3/b12-8+
InChIKey YOPMSDPIOQUWFE-XYOKQWHBSA-N
Literature Reference DOI 10.1002/hlca.201200004
Molecular Weight 263.249 g/mol
SMILES C(\C(C(C)=O)=C\c1cc(ccc1)[N+](=O)[O-])(=O)OCC
SPLASH splash10-002b-0290000000-747fcb247aab73df6a3f
Source of Spectrum H-95-1417-E_11l
Wiley ID 1784408