KEGG   COMPOUND: C14572
Entry
C14572                      Compound                               
Name
2-Ethyltoluene;
o-Methylethylbenzene;
1-Ethyl-2-methylbenzene
Formula
C9H12
Exact mass
120.0939
Mol weight
120.1916
Structure
Other DBs
CAS: 611-14-3
PubChem: 17395572
ChEBI: 34276
NIKKAJI: J43.559G
LinkDB
KCF data

ATOM        9
            1   C8x C    20.1600  -19.2500
            2   C8x C    20.1600  -20.6500
            3   C8x C    21.3724  -21.3500
            4   C8x C    22.5849  -20.6500
            5   C8y C    22.5849  -19.2500
            6   C8y C    21.3724  -18.5500
            7   C1a C    21.3724  -17.1502
            8   C1b C    23.8160  -18.5390
            9   C1a C    25.0212  -19.2347
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     8   9 1

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