KEGG   COMPOUND: C14743
Entry
C14743                      Compound                               
Name
Isophorone;
1,1,3-Trimethyl-3-cyclohexene-5-one
Formula
C9H14O
Exact mass
138.1045
Mol weight
138.21
Structure
Other DBs
CAS: 78-59-1
PubChem: 17395741
ChEBI: 34800
KNApSAcK: C00030540
NIKKAJI: J1.954B
LinkDB
KCF data

ATOM        10
            1   C1x C    24.6056  -19.9873
            2   C1z C    23.3803  -19.2881
            3   C2y C    24.6056  -21.3986
            4   C1x C    22.1742  -19.9873
            5   C1a C    22.4547  -18.1508
            6   C1a C    24.2068  -18.1455
            7   C2x C    23.3803  -22.1108
            8   C1a C    25.8182  -22.0917
            9   C5x C    22.1742  -21.3986
            10  O5x O    20.9617  -22.0917
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     9  10 2
            10    7   9 1

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