KEGG   COMPOUND: C14300
Entry
C14300                      Compound                               
Name
Di-n-pentyl phthalate;
Diamyl phthalate
Formula
C18H26O4
Exact mass
306.1831
Mol weight
306.3966
Structure
Brite
Endocrine disrupting compounds [BR:br08006]
 Plasticizers and plastics
  Phthalates
   C14300  Di-n-pentyl phthalate
Other DBs
CAS: 131-18-0
PubChem: 17395300
ChEBI: 34680
NIKKAJI: J46.841J
KCF data

ATOM        22
            1   C8x C    23.4566  -16.2021
            2   C8x C    23.4577  -17.5958
            3   C8x C    24.6629  -15.5043
            4   C8x C    24.6652  -18.2918
            5   C8y C    25.8705  -16.2001
            6   C8y C    25.8717  -17.5938
            7   C7a C    27.0769  -15.5024
            8   C7a C    27.0792  -18.2897
            9   O7a O    28.2844  -16.1983
            10  O7a O    28.2855  -17.5919
            11  C1b C    29.4803  -15.5062
            12  C1b C    30.6984  -16.2083
            13  C1b C    29.4617  -18.2694
            14  C1b C    30.6550  -17.5789
            15  O6a O    27.0758  -14.0840
            16  O6a O    27.0801  -19.8678
            17  C1b C    31.9293  -15.4960
            18  C1b C    31.8561  -18.2703
            19  C1b C    33.0724  -17.5662
            20  C1b C    33.1426  -16.1951
            21  C1a C    34.3239  -15.5116
            22  C1a C    34.2547  -18.2470
BOND        22
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     5   7 1
            8     6   8 1
            9     7   9 1
            10    8  10 1
            11    9  11 1
            12   11  12 1
            13   10  13 1
            14   13  14 1
            15    7  15 2
            16    8  16 2
            17   12  17 1
            18   14  18 1
            19   18  19 1
            20   17  20 1
            21   20  21 1
            22   19  22 1

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