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5-Hydroxy-5-(o-nitrophenyl)-4-methylenebutan-3-one
SpectraBase Compound ID EplcIMa7EgF
InChI InChI=1S/C12H13NO4/c1-3-11(14)8(2)12(15)9-6-4-5-7-10(9)13(16)17/h4-7,12,15H,2-3H2,1H3
InChIKey ZHGJGAYCGLTJGY-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAq82DMIU4J
Name 5-Hydroxy-5-(o-nitrophenyl)-4-methylenebutan-3-one
Alternate Name(s) 2-[hydroxy-(2-nitrophenyl)methyl]-1-penten-3-one 2-[(2-nitrophenyl)-oxidanyl-methyl]pent-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-3-11(14)8(2)12(15)9-6-4-5-7-10(9)13(16)17/h4-7,12,15H,2-3H2,1H3
InChIKey ZHGJGAYCGLTJGY-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES OC(C(C(=O)CC)=C)c1c(N(=O)=O)cccc1
SPLASH splash10-0a4i-9500000000-ee603879c46e0ecf74c4
Source of Spectrum F-59-1188-4c
Wiley ID 1712125