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1-Benzylamino-4-hydroxy-4-methyl-1-penten-3-one
SpectraBase Compound ID DbfW3cVjTGE
InChI InChI=1S/C13H17NO2/c1-13(2,16)12(15)8-9-14-10-11-6-4-3-5-7-11/h3-9,14,16H,10H2,1-2H3/b9-8+
InChIKey GFKBDLLCLVJJTJ-CMDGGOBGSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4IlbF9PVTY
Name 1-Benzylamino-4-hydroxy-4-methyl-1-penten-3-one
Alternate Name(s) (1E)-1-(benzylamino)-4-hydroxy-4-methyl-1-penten-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-13(2,16)12(15)8-9-14-10-11-6-4-3-5-7-11/h3-9,14,16H,10H2,1-2H3/b9-8+
InChIKey GFKBDLLCLVJJTJ-CMDGGOBGSA-N
Molecular Weight 219.284 g/mol
SMILES OC(C(\C=C\NCc1ccccc1)=O)(C)C
SPLASH splash10-0006-9000000000-42d9d752b52842b54b26
Source of Spectrum SO-0-476-2
Wiley ID 1541442