KEGG   COMPOUND: C15438
Entry
C15438                      Compound                               
Name
Bis(2-butoxyethyl)phthalate;
beta-Butoxyethyl phthalate
Formula
C20H30O6
Exact mass
366.2042
Mol weight
366.4486
Structure
Other DBs
CAS: 117-83-9
PubChem: 17396435
ChEBI: 79937
NIKKAJI: J47.944F
LinkDB
KCF data

ATOM        26
            1   C8x C    18.0059  -18.5814
            2   C8x C    18.0070  -19.9809
            3   C8x C    19.2171  -17.8808
            4   C8x C    19.2194  -20.6797
            5   C8y C    20.4296  -18.5794
            6   C8y C    20.4308  -19.9789
            7   C7a C    21.6411  -17.8789
            8   C7a C    21.6434  -20.6776
            9   O7a O    22.8535  -18.5776
            10  O7a O    22.8546  -19.9770
            11  C1b C    24.0542  -17.8827
            12  C1b C    25.2775  -18.5877
            13  C1b C    24.0356  -20.6573
            14  C1b C    25.2338  -19.9639
            15  O6a O    21.6400  -16.4547
            16  O6a O    21.6443  -22.2622
            17  O2a O    26.5134  -17.8726
            18  C1b C    27.7316  -18.5744
            19  C1b C    28.9183  -17.8878
            20  C1b C    30.1231  -18.5822
            21  O2a O    26.4399  -20.6582
            22  C1b C    27.6611  -19.9512
            23  C1b C    28.8492  -20.6352
            24  C1b C    30.0504  -19.9396
            25  C1a C    31.3296  -17.8846
            26  C1a C    31.2692  -20.6411
BOND        26
            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   17  18 1
            19   18  19 1
            20   19  20 1
            21   14  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   20  25 1
            26   24  26 1

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