KEGG   COMPOUND: C14468
Entry
C14468                      Compound                               
Name
Diisopropyl phthalate
Formula
C14H18O4
Exact mass
250.1205
Mol weight
250.2903
Structure
Other DBs
CAS: 605-45-8
PubChem: 17395468
ChEBI: 34712
NIKKAJI: J45.975E
KCF data

ATOM        18
            1   C8x C    25.1873  -16.2224
            2   C8x C    25.1873  -17.6282
            3   C8x C    26.4047  -18.3311
            4   C8y C    27.6223  -17.6282
            5   C8y C    27.6223  -16.2224
            6   C8x C    26.4047  -15.5194
            7   C7a C    28.8585  -15.5084
            8   C7a C    28.8585  -18.3421
            9   O7a O    30.0687  -16.2070
            10  O7a O    30.0687  -17.6435
            11  O6a O    28.8582  -14.1137
            12  O6a O    28.8582  -19.7368
            13  C1c C    31.2559  -15.5214
            14  C1c C    31.2559  -18.3292
            15  C1a C    32.4549  -16.2135
            16  C1a C    31.2559  -14.1138
            17  C1a C    32.4549  -17.6370
            18  C1a C    31.2559  -19.7367
BOND        18
            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     4   8 1
            9     7   9 1
            10    8  10 1
            11    7  11 2
            12    8  12 2
            13    9  13 1
            14   10  14 1
            15   13  15 1
            16   13  16 1
            17   14  17 1
            18   14  18 1

» Japanese version

  All links  
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
All databases (4)   

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