KEGG   COMPOUND: C14709
Entry
C14709                      Compound                               
Name
1,1-Dimethylethyl benzoate;
tert-Butyl benzoate
Formula
C11H14O2
Exact mass
178.0994
Mol weight
178.2277
Structure
Other DBs
CAS: 774-65-2
PubChem: 17395708
ChEBI: 34034
NIKKAJI: J47.832F
KCF data

ATOM        13
            1   C8x C    12.6000  -18.6200
            2   C8x C    12.6000  -17.2200
            3   C8x C    13.7900  -16.5200
            4   C8x C    15.0500  -17.2200
            5   C8y C    15.0500  -18.6200
            6   C8x C    13.7900  -19.3200
            7   C7a C    16.2400  -19.3200
            8   O7a O    17.4300  -18.6200
            9   O6a O    16.2400  -20.7200
            10  C1d C    18.6200  -19.3200
            11  C1a C    19.8100  -18.6200
            12  C1a C    18.6200  -20.7200
            13  C1a C    19.8100  -20.0200
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 1
            11   10  11 1
            12   10  12 1
            13   10  13 1

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  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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