KEGG   COMPOUND: C14139
Entry
C14139                      Compound                               
Name
4-sec-Butylphenol;
4-(1-Methylpropyl)phenol;
1-Hydroxy-4-sec-butylbenzene
Formula
C10H14O
Exact mass
150.1045
Mol weight
150.2176
Structure
Other DBs
CAS: 99-71-8
PubChem: 7846953
ChEBI: 34442
NIKKAJI: J362J
LinkDB
KCF data

ATOM        11
            1   C8y C    28.1192  -19.5270
            2   C8x C    28.1192  -20.9213
            3   C8x C    26.8643  -21.6185
            4   C8y C    25.6791  -20.9213
            5   C8x C    25.6791  -19.5270
            6   C8x C    26.8643  -18.8298
            7   C1c C    29.3044  -18.8298
            8   C1b C    30.4895  -19.5270
            9   C1a C    29.3044  -17.4355
            10  C1a C    31.6747  -18.8298
            11  O1a O    24.4242  -21.6882
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     7   9 1
            10    8  10 1
            11    4  11 1

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