KEGG   COMPOUND: C14697
Entry
C14697                      Compound                               
Name
4-Isopentylphenol;
p-Isoamylphenol
Formula
C11H16O
Exact mass
164.1201
Mol weight
164.2441
Structure
Other DBs
CAS: 1805-61-4
PubChem: 17395696
ChEBI: 34428
NIKKAJI: J539.756A
LinkDB
KCF data

ATOM        12
            1   C8x C    14.7000  -18.2700
            2   C8y C    14.7000  -19.6700
            3   C8x C    15.9124  -20.3700
            4   C8x C    17.1249  -19.6700
            5   C8y C    17.1249  -18.2700
            6   C8x C    15.9124  -17.5700
            7   O1a O    13.4876  -20.3700
            8   C1b C    18.3560  -17.5590
            9   C1b C    19.5612  -18.2547
            10  C1c C    20.7435  -17.5719
            11  C1a C    21.9375  -18.2612
            12  C1a C    20.7435  -16.1702
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 1

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