KEGG   COMPOUND: C14253
Entry
C14253                      Compound                               

Name
Dibutyl adipate;
Di-n-butyl adipate
Formula
C14H26O4
Exact mass
258.1831
Mol weight
258.3538
Structure
Other DBs
CAS: 105-99-7
PubChem: 7847063
ChEBI: 34686
ChEMBL: CHEMBL3188143
LIPIDMAPS: LMFA07010827
NIKKAJI: J5.048B
KCF data

ATOM        18
            1   C1b C    21.3118  -19.2158
            2   C1b C    22.5743  -19.9172
            3   C1b C    20.1194  -19.9172
            4   O7a O    23.7668  -19.2158
            5   C1a C    18.9270  -19.2158
            6   C7a C    24.9591  -19.9172
            7   C1b C    26.2218  -19.2158
            8   O6a O    24.9591  -21.3200
            9   C1b C    27.4141  -19.9172
            10  C1b C    28.6066  -19.2158
            11  C1b C    29.8691  -19.9172
            12  C7a C    31.0615  -19.2158
            13  O7a O    32.2539  -19.9172
            14  O6a O    31.0615  -17.8130
            15  C1b C    33.4463  -19.2158
            16  C1b C    34.7088  -19.9172
            17  C1b C    35.9013  -19.2158
            18  C1a C    37.0936  -19.9172
BOND        17
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     6   7 1
            7     6   8 2
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 2
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1

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