KEGG   COMPOUND: C14518
Entry
C14518                      Compound                               
Name
1,2,3-Trimethylbenzene;
Hemimellitene
Formula
C9H12
Exact mass
120.0939
Mol weight
120.1916
Structure
Other DBs
CAS: 526-73-8
PubChem: 17395518
ChEBI: 34037
NIKKAJI: J1.582B
KCF data

ATOM        9
            1   C8x C    15.4700  -16.6600
            2   C8x C    15.4700  -18.0600
            3   C8x C    16.6824  -18.7600
            4   C8y C    17.8949  -18.0600
            5   C8y C    17.8949  -16.6600
            6   C8y C    16.6824  -15.9600
            7   C1a C    16.6824  -14.5602
            8   C1a C    19.1260  -15.9490
            9   C1a C    19.1260  -18.7710
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     5   8 1
            9     4   9 1

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Chemical substance (10)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (5)   
   NIKKAJI (1)   
All databases (10)   

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