KEGG   COMPOUND: C17666
Entry
C17666                      Compound                               
Name
1-Phenylpropyl acetate
Formula
C11H14O2
Exact mass
178.0994
Mol weight
178.2277
Structure
Other DBs
CAS: 2114-29-6
PubChem: 96024009
ChEBI: 81260
NIKKAJI: J155.075F
LinkDB
KCF data

ATOM        13
            1   C8x C    21.7700  -23.8700
            2   C8x C    21.7700  -25.2700
            3   C8x C    20.5800  -25.9700
            4   C8x C    19.3200  -25.2700
            5   C8x C    19.3200  -23.8700
            6   C8y C    20.5800  -23.1700
            7   C1c C    20.5800  -21.7700
            8   O7a O    21.7700  -21.0700
            9   C1b C    19.3900  -21.0700
            10  C1a C    18.2000  -21.7700
            11  C7a C    22.9600  -21.7700
            12  C1a C    24.1500  -21.0700
            13  O6a O    22.9600  -23.1700
BOND        13
            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     6   7 1
            8     7   8 1
            9     7   9 1
            10    9  10 1
            11    8  11 1
            12   11  12 1
            13   11  13 2

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