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1-Pentanone, 1-(1H-imidazol-4-yl)-
SpectraBase Compound ID JlAeNVFpubJ
InChI InChI=1S/C8H12N2O/c1-2-3-4-8(11)7-5-9-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey CJOFPRAZWGYALB-UHFFFAOYSA-N
Mol Weight 152.2 g/mol
Molecular Formula C8H12N2O
Exact Mass 152.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 772LlXjhuun
Name 1-Pentanone, 1-(1H-imidazol-4-yl)-
Alternate Name(s) 1-(1H-Imidazol-5-yl)-1-pentanone 1-(1H-imidazol-5-yl)pentan-1-one 4(5)-Valerylimidazole
CAS Registry Number 69393-15-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O
InChI InChI=1S/C8H12N2O/c1-2-3-4-8(11)7-5-9-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey CJOFPRAZWGYALB-UHFFFAOYSA-N
Molecular Weight 152.197 g/mol
SMILES [nH]1cncc1C(CCCC)=O
SPLASH splash10-03dj-9800000000-f5493da7d93b19e15931
Source of Spectrum H-61-2828-0
Wiley ID 1148834