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(2S)-2-Benzyl-1-(1-methyl-1H-imidazol-2-yl)pentan-1-one
SpectraBase Compound ID 5dvKdN47CVa
InChI InChI=1S/C16H20N2O/c1-3-7-14(12-13-8-5-4-6-9-13)15(19)16-17-10-11-18(16)2/h4-6,8-11,14H,3,7,12H2,1-2H3/t14-/m0/s1
InChIKey YYXSZVAIONVGDG-AWEZNQCLSA-N
Mol Weight 256.35 g/mol
Molecular Formula C16H20N2O
Exact Mass 256.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ln95W2WNaoi
Name (2S)-2-Benzyl-1-(1-methyl-1H-imidazol-2-yl)pentan-1-one
Comments Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821386
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O
InChI InChI=1S/C16H20N2O/c1-3-7-14(12-13-8-5-4-6-9-13)15(19)16-17-10-11-18(16)2/h4-6,8-11,14H,3,7,12H2,1-2H3/t14-/m0/s1
InChIKey YYXSZVAIONVGDG-AWEZNQCLSA-N
Molecular Weight 256.349 g/mol
SMILES C([C@@](CCC)(Cc1ccccc1)[H])(=O)c1ncc[n]1C
SPLASH splash10-001i-9110000000-6a5620b0d5827b70e27e
Source of Spectrum F-69-800-11
Synonyms (2S)-2-benzyl-1-(1-methyl-1H-imidazol-2-yl)-1-pentanone
Wiley ID 1594662