KEGG   COMPOUND: C14508
Entry
C14508                      Compound                               
Name
Mesitylene;
1,3,5-Trimethylbenzene
Formula
C9H12
Exact mass
120.0939
Mol weight
120.19
Structure
Other DBs
CAS: 108-67-8
PubChem: 17395508
ChEBI: 34833
PDB-CCD: SEZ[PDBj]
NIKKAJI: J2.424D
LinkDB
KCF data

ATOM        9
            1   C8x C    22.1608  -17.7512
            2   C8y C    22.1608  -19.1488
            3   C8x C    23.3711  -19.8476
            4   C8y C    24.5816  -19.1488
            5   C8x C    24.5816  -17.7512
            6   C8y C    23.3711  -17.0524
            7   C1a C    23.3711  -15.6549
            8   C1a C    25.8106  -19.8586
            9   C1a C    20.9505  -19.8476
BOND        9
            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     4   8 1
            9     2   9 1

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