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(4S,5S,E)-Ethyl 5-formyl-4-(nitromethyl) non-2-enoate
SpectraBase Compound ID JZAhyhl2tNq
InChI InChI=1S/C13H21NO5/c1-3-5-6-12(10-15)11(9-14(17)18)7-8-13(16)19-4-2/h7-8,10-12H,3-6,9H2,1-2H3/b8-7+/t11-,12-/m1/s1
InChIKey HOLOWEFKFADRDT-IDDPWSFUSA-N
Mol Weight 271.31 g/mol
Molecular Formula C13H21NO5
Exact Mass 271.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jrhl94fKSbo
Name (4S,5S,E)-Ethyl 5-formyl-4-(nitromethyl) non-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO5
InChI InChI=1S/C13H21NO5/c1-3-5-6-12(10-15)11(9-14(17)18)7-8-13(16)19-4-2/h7-8,10-12H,3-6,9H2,1-2H3/b8-7+/t11-,12-/m1/s1
InChIKey HOLOWEFKFADRDT-IDDPWSFUSA-N
Literature Reference DOI 10.1002/adsc.200900879
Molecular Weight 271.313 g/mol
SMILES [C@](C=O)([C@](\C=C\C(OCC)=O)(C[N+]([O-])=O)[H])(CCCC)[H]
SPLASH splash10-0pba-9500000000-0e968aa4cfeaa8500288
Source of Spectrum ASC-352-987/SM4-3e
Synonyms (4S,5S,E)-ethyl 5-formyl-4-(nitromethyl)non-2-enoate
Wiley ID 1764331