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(E)-3-Acetoxymethyl-4-(4'-nitrophenyl)-3-buten-2-one
SpectraBase Compound ID IWY6qpmjEnY
InChI InChI=1S/C13H13NO5/c1-9(15)12(8-19-10(2)16)7-11-3-5-13(6-4-11)14(17)18/h3-7H,8H2,1-2H3/b12-7+
InChIKey GDEPSJCZDFSZCH-KPKJPENVSA-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 AvKvf4yEb2A
Name (E)-3-Acetoxymethyl-4-(4'-nitrophenyl)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO5
InChI InChI=1S/C13H13NO5/c1-9(15)12(8-19-10(2)16)7-11-3-5-13(6-4-11)14(17)18/h3-7H,8H2,1-2H3/b12-7+
InChIKey GDEPSJCZDFSZCH-KPKJPENVSA-N
Literature Reference DOI 10.1002/adsc.201600601
Molecular Weight 263.249 g/mol
SMILES CC(\C(=C\c1ccc(cc1)[N+](=O)[O-])COC(=O)C)=O
SPLASH splash10-0fk9-0690000000-a3202e7148cdc02869a3
Source of Spectrum ASC-358-3563-1e
Synonyms (E)-2-(4-nitrobenzylidene)-3-oxobutyl acetate
Wiley ID 1803422