KEGG   COMPOUND: C14570
Entry
C14570                      Compound                               
Name
Dimethyl adipate;
Dimethyl hexanedioate
Formula
C8H14O4
Exact mass
174.0892
Mol weight
174.1944
Structure
Other DBs
CAS: 627-93-0
PubChem: 17395570
ChEBI: 34715
NIKKAJI: J518E
KCF data

ATOM        12
            1   C7a C    20.3462  -18.1379
            2   C1b C    21.5609  -17.4339
            3   O7a O    19.1375  -17.4454
            4   O6a O    20.3522  -19.5404
            5   C1b C    22.7756  -18.1321
            6   C1b C    23.9844  -17.4279
            7   C1b C    25.1991  -18.1261
            8   C7a C    26.4138  -17.4221
            9   O7a O    27.6225  -18.1146
            10  O6a O    26.4078  -16.0196
            11  C1a C    17.9140  -18.1577
            12  C1a C    28.8460  -17.4023
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2
            10    3  11 1
            11    9  12 1

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  All links  
Chemical substance (11)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (6)   
   NIKKAJI (1)   
All databases (11)   

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