KEGG   COMPOUND: C14523
Entry
C14523                      Compound                               
Name
Diisopropyl adipate
Formula
C12H22O4
Exact mass
230.1518
Mol weight
230.3007
Structure
Other DBs
CAS: 6938-94-9
PubChem: 17395523
ChEBI: 34711
NIKKAJI: J14.488F
KCF data

ATOM        16
            1   C1a C     4.2700  -16.5200
            2   C1c C     5.4824  -17.2200
            3   O7a O     6.6949  -16.5200
            4   C7a C     7.9073  -17.2200
            5   C1b C     9.1197  -16.5200
            6   C1b C    10.3322  -17.2200
            7   C1b C    11.5446  -16.5200
            8   C1b C    12.7570  -17.2200
            9   C7a C    13.9695  -16.5200
            10  O7a O    15.1819  -17.2200
            11  C1c C    16.3944  -16.5200
            12  C1a C    17.6068  -17.2200
            13  C1a C     5.4824  -18.6198
            14  O6a O     7.9073  -18.6200
            15  O6a O    13.9695  -15.1203
            16  C1a C    16.3944  -15.1201
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    2  13 1
            13    4  14 2
            14    9  15 2
            15   11  16 1

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

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