KEGG   COMPOUND: C14260
Entry
C14260                      Compound                               
Name
Diisobutyl adipate
Formula
C14H26O4
Exact mass
258.1831
Mol weight
258.3538
Structure
Other DBs
CAS: 141-04-8
PubChem: 17395260
ChEBI: 34708
NIKKAJI: J26.287K
LinkDB
KCF data

ATOM        18
            1   C1c C    21.3606  -19.1919
            2   C1b C    22.6214  -19.8923
            3   C1a C    20.1698  -19.8923
            4   O7a O    23.8123  -19.1919
            5   C7a C    25.0030  -19.8923
            6   C1b C    26.2640  -19.1919
            7   O6a O    25.0030  -21.2932
            8   C1b C    27.4547  -19.8923
            9   C1b C    28.6456  -19.1919
            10  C1b C    29.9064  -19.8923
            11  C7a C    31.0972  -19.1919
            12  O7a O    32.2880  -19.8923
            13  O6a O    31.0972  -17.7910
            14  C1b C    33.4787  -19.1919
            15  C1c C    34.7395  -19.8923
            16  C1a C    35.9304  -19.1919
            17  C1a C    34.6869  -21.3232
            18  C1a C    21.3430  -17.8280
BOND        17
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     5   7 2
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1
            17    1  18 1

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