KEGG   COMPOUND: C18150
Entry
C18150                      Compound                               
Name
n-Butylbenzene
Formula
C10H14
Exact mass
134.1096
Mol weight
134.2182
Structure
Other DBs
CAS: 104-51-8
PubChem: 96024367
ChEBI: 44194
PDB-CCD: N4B[PDBj]
NIKKAJI: J5.032F
KCF data

ATOM        10
            1   C8x C    16.9400  -28.4900
            2   C8x C    16.9400  -29.8900
            3   C8x C    18.1524  -30.5900
            4   C8x C    19.3649  -29.8900
            5   C8y C    19.3649  -28.4900
            6   C8x C    18.1524  -27.7900
            7   C1b C    20.5960  -27.7790
            8   C1b C    21.8012  -28.4747
            9   C1b C    22.9835  -27.7919
            10  C1a C    24.1775  -28.4812
BOND        10
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1

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Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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