KEGG   COMPOUND: C14280
Entry
C14280                      Compound                               
Name
Furfural diethyl acetal
Formula
C9H14O3
Exact mass
170.0943
Mol weight
170.2057
Structure
Other DBs
CAS: 13529-27-6
PubChem: 17395280
ChEBI: 34769
NIKKAJI: J241.168G
KCF data

ATOM        12
            1   C8x C    25.7868  -19.0135
            2   C8x C    25.2864  -17.7625
            3   O2x O    26.4123  -16.8868
            4   C8y C    27.5382  -17.7625
            5   C8x C    27.1629  -19.0135
            6   C1c C    28.7891  -17.0119
            7   O2a O    30.0401  -17.7625
            8   O2a O    28.7891  -15.6358
            9   C1b C    31.1660  -17.0119
            10  C1a C    32.4170  -17.7625
            11  C1b C    30.0401  -14.8853
            12  C1a C    31.1660  -15.6358
BOND        12
            1     4   5 2
            2     5   1 1
            3     4   6 1
            4     1   2 2
            5     6   7 1
            6     2   3 1
            7     3   4 1
            8     6   8 1
            9     7   9 1
            10    9  10 1
            11    8  11 1
            12   11  12 1

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