KEGG   COMPOUND: C14226
Entry
C14226                      Compound                               
Name
p-tert-Amylphenol;
4-t-Amylphenol;
4-tert-Pentylphenol
Formula
C11H16O
Exact mass
164.1201
Mol weight
164.2441
Structure
Other DBs
CAS: 80-46-6
PubChem: 7847036
ChEBI: 35096
NIKKAJI: J4.250A
LinkDB
KCF data

ATOM        12
            1   C8x C    27.9880  -20.7892
            2   C8x C    26.8023  -18.6969
            3   C8x C    26.7326  -21.4169
            4   C8x C    25.5469  -19.3944
            5   C8y C    27.9880  -19.3944
            6   C8y C    25.5469  -20.7195
            7   C1d C    29.1736  -18.6969
            8   O1a O    24.3613  -21.4169
            9   C1b C    30.3592  -19.3944
            10  C1a C    30.2197  -17.6508
            11  C1a C    31.6146  -18.7667
            12  C1a C    28.1274  -17.6508
BOND        12
            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   7 1
            8     6   8 1
            9     7   9 1
            10    7  10 1
            11    9  11 1
            12    7  12 1

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