3-BROMOPHENETOLE(2655-84-7) IR1
Molecular FormulaC8H9BrO
Molecular Weight201.06
InChIInChI=1S/C8H9BrO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
InChIKey LQBMPJSTUHWGDE-UHFFFAOYSA-N
SmilesC1(Br)=CC=CC(OCC)=C1
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Mass
MS2002-01187WA
3-bromophenetole
C8H9BrO (Mass of molecular ion: 200)
Source Temperature: 250 °C
Sample Temperature: 270 °C
Reservoir, 70 eV
26.0 1.3
27.0 5.8
28.0 2.1
29.0 8.4
37.0 1.2
38.0 5.0
39.0 8.4
50.0 5.9
51.0 1.8
53.0 1.6
61.0 1.6
62.0 4.5
63.0 17.4
64.0 10.7
65.0 27.1
66.0 1.6
74.0 3.5
75.0 6.8
76.0 6.3
77.0 4.1
91.0 2.3
92.0 4.4
93.0 33.9
94.0 2.3
117.0 2.4
119.0 2.5
120.0 1.5
143.0 5.6
145.0 5.4
155.0 3.7
157.0 3.8
171.0 1.0
172.0 100.0
173.0 7.2
174.0 97.2
175.0 6.2
200.0 42.7
201.0 3.9
202.0 41.7
203.0 3.6