26
IUPAC name: 2-propanoylphenyl acetate, SMILES: CCC(=O)C1=CC=CC=C1OC(C)=O
C -1.35638 2.12763 -0.654007
C -2.65222 1.75563 -0.292767
C -2.90548 0.454054 0.153058
C -1.86072 -0.467483 0.220499
C -0.53966 -0.111261 -0.111996
C -0.306066 1.21169 -0.548059
H -1.13871 3.125 -1.02877
H -3.46206 2.47839 -0.367275
H -3.9125 0.155448 0.435085
H -2.0661 -1.48038 0.55676
C 0.57311 -1.12022 -0.00101029
O 0.9385 1.6089 -1.01312
C 1.92817 2.11103 -0.153398
O 2.98828 2.39775 -0.635067
C 1.53429 2.27455 1.29711
O 1.68963 -0.797396 0.374748
C 0.239438 -2.56023 -0.391226
C 1.46196 -3.48021 -0.429606
H 0.619254 2.87262 1.3887
H 2.35794 2.7588 1.82629
H 1.34095 1.28633 1.72799
H -0.278681 -2.53555 -1.3614
H -0.505878 -2.93972 0.325436
H 2.19583 -3.11674 -1.15805
H 1.16125 -4.49774 -0.707814
H 1.95586 -3.51088 0.547894
