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2-Propen-1-one, 3-butoxy-1-(4-nitrophenyl)-, (E)-
SpectraBase Compound ID IkfR7Lkr6r0
InChI InChI=1S/C13H15NO4/c1-2-3-9-18-10-8-13(15)11-4-6-12(7-5-11)14(16)17/h4-8,10H,2-3,9H2,1H3/b10-8+
InChIKey DOQMJLAGQZPNKQ-CSKARUKUSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JXD2IWenZE
Name 2-Propen-1-one, 3-butoxy-1-(4-nitrophenyl)-, (E)-
CAS Registry Number 114657-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-2-3-9-18-10-8-13(15)11-4-6-12(7-5-11)14(16)17/h4-8,10H,2-3,9H2,1H3/b10-8+
InChIKey DOQMJLAGQZPNKQ-CSKARUKUSA-N
Molecular Weight 249.266 g/mol
SMILES c1(N(=O)=O)ccc(C(\C=C\OCCCC)=O)cc1
SPLASH splash10-0006-9000000000-9b886faa6884f4ff94f9
Source of Spectrum J-53-4258-3
Synonyms (2E)-3-butoxy-1-(4-nitrophenyl)-2-propen-1-one
Wiley ID 1252127