KEGG   COMPOUND: C14236
Entry
C14236                      Compound                               
Name
4-Heptyloxyphenol;
p-n-Heptyloxyphenol
Formula
C13H20O2
Exact mass
208.1463
Mol weight
208.2967
Structure
Other DBs
CAS: 13037-86-0
PubChem: 7847046
ChEBI: 34406
NIKKAJI: J27.312K
LinkDB
KCF data

ATOM        15
            1   C1a C    34.6523  -18.6284
            2   C8x C    23.8016  -21.0244
            3   C8x C    22.5325  -18.9581
            4   C8x C    24.9946  -20.2917
            5   C8x C    23.7254  -18.2254
            6   C1b C    33.4213  -17.9617
            7   C1b C    32.2283  -18.6944
            8   C1b C    30.9973  -18.0276
            9   C1b C    29.8044  -18.7603
            10  C1b C    28.5734  -18.0936
            11  C1b C    27.3805  -18.8263
            12  C8y C    22.5705  -20.3575
            13  C8y C    24.9564  -18.8921
            14  O1a O    21.3776  -21.0902
            15  O2a O    26.1494  -18.1594
BOND        15
            1     1   6 1
            2     2   4 2
            3     2  12 1
            4     3   5 1
            5     3  12 2
            6     4  13 1
            7     5  13 2
            8     6   7 1
            9     7   8 1
            10    8   9 1
            11    9  10 1
            12   10  11 1
            13   11  15 1
            14   12  14 1
            15   13  15 1

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