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2-Hexanone, 3-[hydroxy(2-nitrophenyl)methyl]-
SpectraBase Compound ID DBiFZni1UyH
InChI InChI=1S/C13H17NO4/c1-3-6-10(9(2)15)13(16)11-7-4-5-8-12(11)14(17)18/h4-5,7-8,10,13,16H,3,6H2,1-2H3
InChIKey DOFGCSZCKKWZJU-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cYSxe1hNwB
Name 2-Hexanone, 3-[hydroxy(2-nitrophenyl)methyl]-
Alternate Name(s) 3-[Hydroxy(2-nitrophenyl)methyl]-2-hexanone 3-[(2-nitrophenyl)-oxidanyl-methyl]hexan-2-one 3-[hydroxy-(2-nitrophenyl)methyl]hexan-2-one
CAS Registry Number 62238-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-3-6-10(9(2)15)13(16)11-7-4-5-8-12(11)14(17)18/h4-5,7-8,10,13,16H,3,6H2,1-2H3
InChIKey DOFGCSZCKKWZJU-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES OC(c1ccccc1N(=O)=O)C(CCC)C(C)=O
SPLASH splash10-0fdo-9300000000-d7c6368d52d25e5f6c52
Source of Spectrum W5-22060-0-0
Wiley ID 1254466