KEGG   COMPOUND: C14200
Entry
C14200                      Compound                               
Name
4-tert-Butylphenol;
Butylphen
Formula
C10H14O
Exact mass
150.1045
Mol weight
150.22
Structure
Comment
2-tert-Butylphenol [CPD:C14130]
3-tert-Butylphenol [CPD:C14188]
Other DBs
CAS: 98-54-4
PubChem: 7847010
ChEBI: 34444
NIKKAJI: J3.579C
KCF data

ATOM        11
            1   C8x C    26.7878  -19.5232
            2   C8x C    29.2126  -19.5232
            3   C8x C    26.7878  -20.9232
            4   C8x C    29.2126  -20.9232
            5   C8y C    28.0002  -18.8232
            6   C8y C    28.0002  -21.6232
            7   C1a C    28.0002  -16.0232
            8   C1a C    29.4002  -17.4232
            9   C1a C    26.6002  -17.4232
            10  C1d C    28.0002  -17.4232
            11  O1a O    28.0002  -23.0232
BOND        11
            1     1   3 2
            2     1   5 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     4   6 2
            7     5  10 1
            8     6  11 1
            9     7  10 1
            10    8  10 1
            11    9  10 1

» Japanese version

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

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