KEGG   COMPOUND: C12292Help
Entry
C12292                      Compound                               

Name
Ethyl octanoate;
Ethyl caprylate
Formula
C10H20O2
Exact mass
172.1463
Mol weight
172.2646
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 106-32-1
PubChem: 14436
ChEBI: 87426
KNApSAcK: C00035613
NIKKAJI: J2.857F
KCF data Show

ATOM        12
            1   C1a C    21.9841  -20.6151
            2   C1b C    23.1968  -19.9100
            3   O7a O    24.4024  -20.6080
            4   C7a C    25.6149  -19.9031
            5   C1b C    26.8276  -20.6010
            6   C1b C    28.0403  -19.8959
            7   C1b C    29.2528  -20.5939
            8   O6a O    25.6080  -18.5000
            9   C1b C    30.4655  -19.8888
            10  C1b C    31.6782  -20.5868
            11  C1b C    32.8838  -19.8819
            12  C1a C    34.0963  -20.5799
BOND        11
            1     1   2 1
            2     6   7 1
            3     3   4 1
            4     4   8 2
            5     7   9 1
            6     4   5 1
            7     9  10 1
            8     2   3 1
            9    10  11 1
            10    5   6 1
            11   11  12 1

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