3,4,5,6-TETRABROMO-O-CRESOL(576-55-6) IR1
Molecular FormulaC7H4Br4O
Molecular Weight423.72
InChIInChI=1S/C7H4Br4O/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3
InChIKey GGIDUULRWQOXLR-UHFFFAOYSA-N
SmilesC1(O)=C(C)C(Br)=C(Br)C(Br)=C1Br
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Mass
MS-IW-7573
3,4,5,6-tetrabromo-o-cresol
C7H4Br4O (Mass of molecular ion: 420)
Source Temperature: 150 °C
Sample Temperature: 140 °C
Direct, 75 eV
18.0 1.4
37.0 1.3
50.0 1.8
51.0 1.7
61.0 1.1
73.0 2.1
74.0 6.8
75.0 8.4
76.0 2.7
76.5 1.3
77.0 3.2
77.5 1.4
78.0 2.8
91.0 1.6
92.0 1.2
102.0 1.0
103.0 2.8
104.0 1.5
116.0 1.9
117.0 4.4
117.5 1.4
118.0 3.8
119.0 1.0
128.0 1.2
130.0 1.4
130.5 1.4
131.0 3.0
131.5 2.7
132.0 1.8
132.5 1.4
133.0 2.4
153.0 2.3
154.0 3.9
155.0 6.1
156.0 4.3
157.0 5.7
158.0 2.5
170.5 3.1
171.5 8.7
172.0 1.1
172.5 8.5
173.5 2.8
183.0 1.8
185.0 1.4
211.0 1.4
212.0 2.1
213.0 1.2
233.0 4.3
234.0 5.2
235.0 7.9
236.0 8.9
237.0 4.2
238.0 4.0
261.0 3.4
262.0 2.5
263.0 7.5
264.0 4.8
265.0 4.2
266.0 2.5
313.0 1.6
314.0 1.9
315.0 3.2
316.0 2.0
317.0 2.7
325.0 1.0
327.0 1.2
340.0 1.6
341.0 10.8
342.0 5.6
343.0 30.2
344.0 7.7
345.0 29.7
346.0 5.1
347.0 9.7
348.0 1.1
420.0 17.8
421.0 3.0
422.0 69.1
423.0 7.3
424.0 100.0
425.0 8.8
426.0 64.8
427.0 5.6
428.0 16.1
429.0 1.2
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1H NMR |
399.65 MHz |
C7 H4 Br4 O
|
0.038 g : 0.5 ml CDCl3
|
3,4,5,6-tetrabromo-o-cresol
|
|
Assign. Shift(ppm)
A 6.
B 2.452
|
Hz ppm Int.
980.10 2.453 1000