KEGG   COMPOUND: C14522
Entry
C14522                      Compound                               
Name
3-Ethyltoluene;
1-Methyl-3-ethylbenzene
Formula
C9H12
Exact mass
120.0939
Mol weight
120.1916
Structure
Other DBs
CAS: 620-14-4
PubChem: 17395522
ChEBI: 77512
NIKKAJI: J43.560K
LinkDB
KCF data

ATOM        9
            1   C8x C    16.3800  -18.6900
            2   C8x C    16.3800  -20.0900
            3   C8x C    17.5924  -20.7900
            4   C8y C    18.8049  -20.0900
            5   C8x C    18.8049  -18.6900
            6   C8y C    17.5924  -17.9900
            7   C1a C    17.5924  -16.5902
            8   C1b C    20.0360  -20.8010
            9   C1a C    21.2412  -20.1053
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     8   9 1

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