Bromopropylate(18181-80-1) 1H NMR
Molecular FormulaC17H16Br2O3
Molecular Weight428.12
InChIInChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChIKey FOANIXZHAMJWOI-UHFFFAOYSA-N
SmilesC(O)(C(=O)OC(C)C)(C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
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Mass
MS2006-03099WA
phenisobromolate
C17H16Br2O3 (Mass of molecular ion: 426)
Source Temperature: 250 °C
Sample Temperature: 55 °C
Direct, 70 eV
27.0 1.9
39.0 1.1
41.0 3.3
43.0 10.2
50.0 2.6
51.0 2.2
63.0 1.3
74.0 1.2
75.0 6.3
76.0 13.0
77.0 5.6
90.5 1.2
104.0 11.3
105.0 4.3
126.0 1.1
150.0 1.3
151.0 2.7
152.0 7.2
153.0 1.4
155.0 18.2
156.0 1.6
157.0 17.7
158.0 1.3
163.0 2.7
164.0 1.6
183.0 51.6
184.0 4.0
185.0 50.4
186.0 3.9
260.0 4.9
261.0 1.4
262.0 4.7
339.0 50.7
340.0 8.2
341.0 100.0
342.0 14.5
343.0 48.9
344.0 6.8