KEGG   COMPOUND: C15205Help
Entry
C15205                      Compound                               

Name
Diisobutyl phthalate;
DIBP
Formula
C16H22O4
Exact mass
278.1518
Mol weight
278.3435
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
84-69-5
PubChem: 
ChEBI: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8x C    23.4551  -18.6255
            2   C8x C    23.4551  -20.0260
            3   C8x C    24.6680  -20.7263
            4   C8y C    25.8809  -20.0260
            5   C8y C    25.8809  -18.6255
            6   C8x C    24.6680  -17.9253
            7   C7a C    27.1124  -17.9143
            8   C7a C    27.1124  -20.7373
            9   O6a O    28.3180  -18.6102
            10  O7a O    27.1121  -16.5249
            11  O6a O    28.3180  -20.0413
            12  O7a O    27.1121  -22.1266
            13  C1b C    28.3130  -22.8204
            14  C1b C    28.3130  -15.8312
            15  C1c C    29.4959  -16.5140
            16  C1a C    30.6862  -15.8265
            17  C1a C    29.4962  -17.9198
            18  C1c C    29.5007  -22.1346
            19  C1a C    30.6838  -22.8176
            20  C1a C    29.5010  -20.7203
BOND        20
            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     4   8 1
            9     7   9 2
            10    7  10 1
            11    8  11 2
            12    8  12 1
            13   12  13 1
            14   10  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1
            18   13  18 1
            19   18  19 1
            20   18  20 1

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