KEGG   COMPOUND: C20338
Entry
C20338                      Compound                               
Name
2-Octyl dodecanol;
Octyldodecanol
Formula
C20H42O
Exact mass
298.3236
Mol weight
298.55
Structure
Other DBs
CAS: 5333-42-6
PubChem: 163312076
LinkDB
KCF data

ATOM        21
            1   C1b C     4.7600  -24.9900
            2   C1b C     5.9724  -25.6900
            3   C1a C     3.5476  -25.6900
            4   C1b C     7.1679  -24.9996
            5   C1b C     8.3553  -25.6851
            6   C1b C     9.5465  -24.9971
            7   C1b C    10.7360  -25.6838
            8   C1b C    11.9261  -24.9965
            9   C1b C    13.1162  -25.6835
            10  C1b C    14.3060  -24.9963
            11  C1c C    15.4962  -25.6834
            12  C1b C    16.6860  -24.9962
            13  C1b C    17.8762  -25.6834
            14  C1b C    19.0660  -24.9962
            15  C1b C    20.2562  -25.6834
            16  C1b C    21.4460  -24.9962
            17  C1b C    22.6362  -25.6834
            18  C1b C    23.8260  -24.9962
            19  C1a C    25.0162  -25.6834
            20  C1b C    15.4965  -27.0897
            21  O1a O    16.6891  -27.7783
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   11  20 1
            20   20  21 1

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