KEGG   COMPOUND: C12293Help
Entry
C12293                      Compound                               

Name
Isoamyl formate
Formula
C6H12O2
Exact mass
116.0837
Mol weight
116.1583
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 110-45-2
PubChem: 14437
ChEBI: 31726
NIKKAJI: J1.973I
KCF data Show

ATOM        8
            1   C1a C    25.0118  -20.6317
            2   C1c C    26.2235  -19.9272
            3   C1b C    27.4355  -20.6247
            4   C1b C    28.6403  -19.9201
            5   O2a O    29.8522  -20.6176
            6   C7a C    31.0640  -19.9130
            7   C1a C    26.2205  -18.5250
            8   O6a O    31.0571  -18.5110
BOND        7
            1     4   5 1
            2     2   3 1
            3     5   6 1
            4     1   2 1
            5     2   7 1
            6     3   4 1
            7     6   8 2

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