KEGG   COMPOUND: C12303
Entry
C12303                      Compound                               
Name
Phenethyl acetate;
2-Phenylethyl acetate
Formula
C10H12O2
Exact mass
164.0837
Mol weight
164.2011
Structure
Other DBs
CAS: 103-45-7
PubChem: 582694
ChEBI: 31988
KNApSAcK: C00035015
NIKKAJI: J4.021E
KCF data

ATOM        12
            1   C8y C    26.2500  -18.8300
            2   C1b C    27.4400  -18.1300
            3   C1b C    28.6300  -18.8300
            4   O7a O    29.8900  -18.1300
            5   C7a C    31.0800  -18.8300
            6   C8x C    25.0600  -18.1300
            7   C8x C    26.2500  -20.2300
            8   C8x C    24.9900  -20.9300
            9   C8x C    23.8000  -20.2300
            10  C8x C    23.8000  -18.8300
            11  O6a O    31.0800  -20.2300
            12  C1a C    32.2700  -18.1300
BOND        12
            1     3   4 1
            2     4   5 1
            3     6   1 1
            4     1   7 2
            5     7   8 1
            6     8   9 2
            7     9  10 1
            8    10   6 2
            9     2   3 1
            10    5  11 2
            11    1   2 1
            12    5  12 1

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Chemical substance (9)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   MASSBANK (4)   
   NIKKAJI (1)   
All databases (9)   

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