KEGG   COMPOUND: C14130
Entry
C14130                      Compound                               
Name
2-tert-Butylphenol
Formula
C10H14O
Exact mass
150.1045
Mol weight
150.2176
Structure
Comment
3-tert-Butylphenol [CPD:C14188]
4-tert-Butylphenol [CPD:C14200]
Other DBs
CAS: 88-18-6
PubChem: 7846944
ChEBI: 34305
NIKKAJI: J44.174K
LinkDB
KCF data

ATOM        11
            1   C8x C    29.7292  -21.6535
            2   C8x C    28.5168  -22.3535
            3   C8x C    29.7292  -20.2535
            4   C8x C    27.3044  -21.6535
            5   C8y C    28.5168  -19.5535
            6   C8y C    27.3044  -20.2535
            7   C1a C    28.5168  -16.7535
            8   C1a C    29.9168  -18.1535
            9   C1a C    27.1168  -18.1535
            10  C1d C    28.5168  -18.1535
            11  O1a O    26.0919  -19.5535
BOND        11
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     5  10 1
            8     6  11 1
            9     7  10 1
            10    8  10 1
            11    9  10 1

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