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3-Butanone, 1-hydroxy-1-(m-nitrophenyl)-2-propyl-
SpectraBase Compound ID IvGq0jo7ywE
InChI InChI=1S/C13H17NO4/c1-3-5-12(9(2)15)13(16)10-6-4-7-11(8-10)14(17)18/h4,6-8,12-13,16H,3,5H2,1-2H3
InChIKey STFMQNLXUVROIS-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 REIoFiQ3dH
Name 3-Butanone, 1-hydroxy-1-(m-nitrophenyl)-2-propyl-
Alternate Name(s) 3-Butanon, 1-hydroxy-1-(m-nitrophenyl)-2-propyl- 3-[hydroxy(3-nitrophenyl)methyl]-2-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-3-5-12(9(2)15)13(16)10-6-4-7-11(8-10)14(17)18/h4,6-8,12-13,16H,3,5H2,1-2H3
InChIKey STFMQNLXUVROIS-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES OC(c1cccc(c1)N(=O)=O)C(C(=O)C)CCC
SPLASH splash10-0fdo-9300000000-d7c6368d52d25e5f6c52
Source of Spectrum HE-1982-0-0
Wiley ID 1254469