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(2S)-2-Butyl-1-(1-methyl-1H-imidazol-2-yl)pent-4-en-1-one
SpectraBase Compound ID 2zEhmFTmwKf
InChI InChI=1S/C13H20N2O/c1-4-6-8-11(7-5-2)12(16)13-14-9-10-15(13)3/h5,9-11H,2,4,6-8H2,1,3H3/t11-/m0/s1
InChIKey ISZGWGAVJAFIIA-NSHDSACASA-N
Mol Weight 220.32 g/mol
Molecular Formula C13H20N2O
Exact Mass 220.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CqDlVTp3Ob
Name (2S)-2-Butyl-1-(1-methyl-1H-imidazol-2-yl)pent-4-en-1-one
Comments Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821395
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N2O
InChI InChI=1S/C13H20N2O/c1-4-6-8-11(7-5-2)12(16)13-14-9-10-15(13)3/h5,9-11H,2,4,6-8H2,1,3H3/t11-/m0/s1
InChIKey ISZGWGAVJAFIIA-NSHDSACASA-N
Molecular Weight 220.316 g/mol
SMILES c1([n](ccn1)C)C(=O)[C@@](CC=C)(CCCC)[H]
SPLASH splash10-001i-9600000000-0569adf9b4fb23994bb3
Source of Spectrum F-69-800-11
Synonyms (2R)-2-butyl-1-(1-methyl-1H-imidazol-2-yl)-4-penten-1-one
Wiley ID 1594663