(6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one
C21H31F3O
149301-79-1 Copyright (C) 2024 ACS
 25 24  0  0  0  0  0  0  0  0999 V2000
    8.0023    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0801    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    0.9764    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037    3.6437    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <cas.rn>
149301-79-1

> <cas.index.name>
6,9,12,15-Heneicosatetraen-2-one, 1,1,1-trifluoro-, (6Z,9Z,12Z,15Z)-

> <molecular.formula>
C21H31F3O

> <molecular.weight>
356.47

> <boiling.point.predicted>
421.653±45.00 °C    Press: 760.00 Torr

> <density.predicted>
0.982±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
