KEGG   COMPOUND: C14138
Entry
C14138                      Compound                               
Name
2-sec-Butylphenol;
2-(1-Methylpropyl)phenol
Formula
C10H14O
Exact mass
150.1045
Mol weight
150.2176
Structure
Other DBs
CAS: 89-72-5
PubChem: 7846952
ChEBI: 34303
NIKKAJI: J3.214J
KCF data

ATOM        11
            1   C8x C    25.0173  -19.5522
            2   C8x C    25.0173  -20.9553
            3   C8x C    26.2322  -21.6568
            4   C8x C    27.4473  -20.9553
            5   C8y C    27.4473  -19.5522
            6   C8y C    26.2322  -18.8508
            7   O1a O    26.2322  -17.4480
            8   C1c C    28.6810  -18.8397
            9   C1b C    29.8888  -19.5369
            10  C1a C    28.6807  -17.4479
            11  C1a C    31.0736  -18.8527
BOND        11
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     6   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 1
            11    9  11 1

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  All links  
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (4)   

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