KEGG   COMPOUND: C14188
Entry
C14188                      Compound                               
Name
3-tert-Butylphenol
Formula
C10H14O
Exact mass
150.1045
Mol weight
150.2176
Structure
Comment
2-tert-Butylphenol [CPD:C14130]
4-tert-Butylphenol [CPD:C14200]
Other DBs
CAS: 585-34-2
PubChem: 7846998
ChEBI: 34348
NIKKAJI: J47.447I
LinkDB
KCF data

ATOM        11
            1   C8x C    29.7431  -21.6676
            2   C8x C    28.5301  -22.3680
            3   C8x C    29.7431  -20.2668
            4   C8y C    27.3170  -21.6676
            5   C8y C    28.5301  -19.5665
            6   C8x C    27.3170  -20.2668
            7   C1a C    28.5301  -16.7650
            8   C1a C    29.9308  -18.1657
            9   C1a C    27.1293  -18.1657
            10  C1d C    28.5301  -18.1657
            11  O1a O    26.1109  -22.3638
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     7  10 1
            9     8  10 1
            10    9  10 1
            11    4  11 1

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