KEGG   COMPOUND: C19356
Entry
C19356                      Compound                               
Name
1-tert-Butoxy-2-propanol;
1-(1,1-Dimethylethoxy)-2-propanol;
Propylene glycol mono-t-buthyl ether
Formula
C7H16O2
Exact mass
132.115
Mol weight
132.2007
Structure
Other DBs
CAS: 57018-52-7
PubChem: 124490028
ChEBI: 82413
KCF data

ATOM        9
            1   C1a C    15.3300  -18.6200
            2   C1c C    16.5424  -17.9200
            3   C1b C    17.7549  -18.6200
            4   O2a O    18.9673  -17.9200
            5   C1d C    20.1797  -18.6200
            6   O1a O    16.5424  -16.5202
            7   C1a C    21.3922  -19.3200
            8   C1a C    19.5498  -19.8800
            9   C1a C    20.8017  -17.3757
BOND        8
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     5   7 1
            7     5   8 1
            8     5   9 1

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