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trans-4(S)-hydroxy-1-(4-nitrophenyl)pent-1-en-3-one
SpectraBase Compound ID IFKcacCowXg
InChI InChI=1S/C11H11NO4/c1-8(13)11(14)7-4-9-2-5-10(6-3-9)12(15)16/h2-8,13H,1H3/b7-4+/t8-/m0/s1
InChIKey PHEBOWRUBRARCH-IPWDFOCMSA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8FuZStRqzf
Name trans-4(S)-hydroxy-1-(4-nitrophenyl)pent-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c1-8(13)11(14)7-4-9-2-5-10(6-3-9)12(15)16/h2-8,13H,1H3/b7-4+/t8-/m0/s1
InChIKey PHEBOWRUBRARCH-IPWDFOCMSA-N
Literature Reference DOI 10.1002/cjoc.20020201138
Molecular Weight 221.212 g/mol
SMILES O[C@](C(\C=C\c1ccc(cc1)[N+](=O)[O-])=O)(C)[H]
SPLASH splash10-0h0r-1900000000-a39863c298afdabca8e9
Source of Spectrum CJC-20-1385-5a
Synonyms (S,E)-4-hydroxy-1-(4-nitrophenyl)pent-1-en-3-one (E,4S)-4-hydroxy-1-(4-nitrophenyl)-1-penten-3-one (E,4S)-1-(4-nitrophenyl)-4-oxidanyl-pent-1-en-3-one
Wiley ID 1774821