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(1R,4E)-1-(4-Nitrophenyl)-1-hydroxyhept-4-en-3-one
SpectraBase Compound ID 9AzfZqqUM75
InChI InChI=1S/C13H15NO4/c1-2-3-4-12(15)9-13(16)10-5-7-11(8-6-10)14(17)18/h3-8,13,16H,2,9H2,1H3/b4-3+/t13-/m1/s1
InChIKey DCEPMSUNCHKSMQ-ITDFMYJTSA-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 Hi8tSQTt77P
Name (1R,4E)-1-(4-Nitrophenyl)-1-hydroxyhept-4-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-2-3-4-12(15)9-13(16)10-5-7-11(8-6-10)14(17)18/h3-8,13,16H,2,9H2,1H3/b4-3+/t13-/m1/s1
InChIKey DCEPMSUNCHKSMQ-ITDFMYJTSA-N
Molecular Weight 249.266 g/mol
SMILES O[C@](CC(\C=C\CC)=O)(c1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-001i-9320000000-b723a99428d82d8d0960
Source of Spectrum C5-2004-2457-8
Synonyms (1R,4E)-1-hydroxy-1-(4-nitrophenyl)-4-hepten-3-one
Wiley ID 1617324