KEGG   COMPOUND: C12304Help
Entry
C12304                      Compound                               

Name
Butyl acetate;
n-Butyl acetate
Formula
C6H12O2
Exact mass
116.0837
Mol weight
116.1583
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
123-86-4
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        8
            1   C1a C    24.4023  -20.6280
            2   C1b C    25.6139  -19.9236
            3   C1b C    26.8254  -20.6209
            4   C1b C    28.0370  -19.9165
            5   O7a O    29.2486  -20.6138
            6   C7a C    30.4601  -19.9096
            7   C1a C    31.6717  -20.6069
            8   O6a O    30.4570  -18.5077
BOND        7
            1     4   5 1
            2     2   3 1
            3     5   6 1
            4     1   2 1
            5     6   7 1
            6     3   4 1
            7     6   8 2

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