KEGG   COMPOUND: C19263Help
Entry
C19263                      Compound                               
Name
Methyl isobutyl ketone
Formula
C6H12O
Exact mass
100.0888
Mol weight
100.1589
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C19263  Methyl isobutyl ketone
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Other DBs
CAS: 
108-10-1
PubChem: 
KCF data Show

ATOM        7
            1   C1a C    10.7800  -16.8000
            2   C1c C    11.9924  -16.1000
            3   C1b C    13.2049  -16.8000
            4   C5a C    14.4173  -16.1000
            5   C1a C    15.6297  -16.8000
            6   C1a C    11.9924  -14.7002
            7   O5a O    14.4173  -14.7000
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     4   7 2

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