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(2S)-1-(1-Methyl-1H-imidazol-2-yl)-2-propylhexan-1-one
SpectraBase Compound ID 41MPQzZj9rr
InChI InChI=1S/C13H22N2O/c1-4-6-8-11(7-5-2)12(16)13-14-9-10-15(13)3/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKey JFMSINCXUVGPEW-NSHDSACASA-N
Mol Weight 222.33 g/mol
Molecular Formula C13H22N2O
Exact Mass 222.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Icc9jvLeo5i
Name (2S)-1-(1-Methyl-1H-imidazol-2-yl)-2-propylhexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22N2O
InChI InChI=1S/C13H22N2O/c1-4-6-8-11(7-5-2)12(16)13-14-9-10-15(13)3/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKey JFMSINCXUVGPEW-NSHDSACASA-N
Molecular Weight 222.332 g/mol
SMILES c1([n](ccn1)C)C(=O)[C@@](CCC)(CCCC)[H]
SPLASH splash10-001i-9710000000-92543ea0a8b4beaa1884
Source of Spectrum F-69-800-11
Synonyms (2S)-1-(1-methyl-1H-imidazol-2-yl)-2-propyl-1-hexanone
Wiley ID 1594661