溴酚蓝(115-39-9)红外图谱(IR2)
分子式:C19H10Br4O5S
分子量: 669.96
InChI:InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
InChIKey: UDSAIICHUKSCKT-UHFFFAOYSA-N
Smiles:S1(=O)(=O)C2=CC=CC=C2C(C2=CC(Br)=C(O)C(Br)=C2)(C2=CC(Br)=C(O)C(Br)=C2)O1
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Mass
MS-NW-0364
bromophenol blue
C19H10Br4O5S (Mass of molecular ion: 666)
Source Temperature: 190 °C
Sample Temperature: 270 °C
Direct, 75 eV
17.0 1.5
18.0 6.2
28.0 6.9
29.0 1.0
39.0 3.1
40.5 1.1
44.0 2.4
48.0 5.4
50.0 3.4
51.0 3.1
53.0 8.0
61.0 1.4
62.0 8.2
63.0 11.0
64.0 10.6
69.0 1.0
74.0 4.7
75.0 5.4
76.0 7.7
77.0 4.2
79.0 16.7
80.0 39.8
81.0 15.5
82.0 41.3
86.0 3.4
87.0 5.4
88.0 2.7
89.0 1.5
90.0 5.7
91.0 6.5
92.0 1.5
92.5 1.0
93.0 3.8
93.5 6.1
94.0 2.8
98.0 2.4
99.0 4.4
99.5 1.5
100.0 7.6
100.5 1.8
101.0 3.0
104.0 7.1
105.0 5.3
105.5 19.8
106.0 15.8
106.5 20.3
107.0 5.5
107.5 1.0
108.0 1.0
110.0 3.0
111.0 5.7
111.5 1.3
112.0 4.1
113.0 2.5
114.0 1.4
114.5 3.2
115.0 1.9
117.0 1.0
119.0 1.2
120.0 5.1
120.5 3.4
121.0 9.0
121.5 1.5
122.0 2.3
123.0 2.2
124.0 2.6
125.0 2.2
126.0 1.8
128.0 1.2
129.0 7.3
129.5 2.1
134.0 1.3
134.5 2.1
135.0 2.7
135.5 1.7
136.0 2.1
137.0 5.0
138.0 11.3
139.0 10.0
140.0 1.6
141.0 2.0
142.0 1.2
143.0 3.1
143.5 2.3
144.0 1.0
145.5 2.3
146.5 1.8
149.0 2.3
150.0 11.6
150.5 1.1
151.0 5.0
152.0 2.3
153.0 5.3
154.5 1.8
155.5 1.2
159.0 1.1
160.0 5.3
160.5 1.3
161.0 5.9
161.5 1.3
162.0 2.1
163.0 2.3
166.0 2.6
167.0 2.7
168.0 2.3
168.5 1.7
169.0 3.3
169.5 1.8
170.0 5.9
171.0 3.3
172.0 6.6
174.0 3.7
174.5 7.2
175.0 2.6
175.5 5.2
176.0 2.6
179.0 1.3
182.5 12.5
183.0 3.6
183.5 14.4
184.0 3.2
185.0 2.8
186.0 3.1
187.0 8.4
188.0 3.2
189.0 2.0
194.0 1.4
195.0 2.5
196.0 1.9
198.0 1.6
199.0 2.3
200.0 7.1
201.0 3.2
202.0 2.7
203.0 1.1
209.0 1.8
210.0 3.8
211.0 24.7
212.0 18.7
213.0 33.0
213.5 1.0
214.0 6.8
214.5 2.5
215.0 1.6
215.5 1.5
217.0 1.6
219.0 1.6
221.0 1.5
222.0 2.5
222.5 1.2
223.0 3.5
224.0 2.6
225.0 1.7
226.0 1.7
229.0 3.1
230.0 1.5
231.0 1.5
232.0 1.8
233.0 1.1
240.0 2.8
241.0 5.3
242.0 12.6
243.0 2.6
246.0 4.7
247.0 1.3
248.0 5.0
249.0 1.3
250.0 1.1
251.0 2.7
252.0 1.5
253.0 1.1
254.5 1.6
255.5 2.1
257.0 1.0
258.0 1.9
259.0 1.2
262.5 1.1
267.0 1.5
269.0 1.0
270.0 2.4
271.0 1.8
274.0 17.5
275.0 3.6
276.0 17.1
277.0 6.6
278.0 1.4
279.0 12.8
280.0 1.6
281.0 6.1
290.0 1.2
291.0 4.1
292.0 2.0
293.0 4.0
293.5 2.0
294.0 1.3
294.5 5.5
295.0 2.0
295.5 6.3
296.0 1.9
296.5 2.9
309.0 1.4
310.0 1.0
311.0 1.1
313.0 1.9
315.0 1.0
319.0 1.7
320.0 11.6
321.0 4.6
322.0 11.2
323.0 2.7
324.0 1.2
336.0 1.4
337.0 2.3
338.0 1.9
339.0 5.6
340.0 1.4
341.0 2.3
348.0 2.3
349.0 7.2
350.0 3.7
351.0 6.5
352.0 1.8
353.0 4.5
354.0 1.6
355.0 6.2
356.0 2.0
357.0 2.3
365.0 2.6
366.0 1.3
367.0 2.0
389.0 1.0
398.0 1.2
399.0 1.2
400.0 4.8
401.0 2.6
402.0 4.8
403.0 2.9
404.0 2.8
405.0 1.1
417.0 11.7
418.0 2.8
419.0 25.2
420.0 5.4
421.0 13.7
422.0 2.4
423.0 1.1
427.0 2.3
428.0 2.1
429.0 9.7
430.0 4.6
431.0 14.4
432.0 4.2
433.0 6.0
434.0 1.5
443.0 6.3
444.0 2.8
445.0 13.0
446.0 4.9
447.0 7.9
448.0 2.1
461.0 1.4
463.0 1.0
480.0 1.6
482.0 1.4
499.0 1.2
500.0 1.2
501.0 1.5
502.0 1.6
504.0 1.0
506.0 1.1
507.0 35.4
508.0 10.6
509.0 93.7
510.0 22.0
511.0 100.0
512.0 24.3
513.0 31.9
514.0 6.5
515.0 1.4
523.0 6.4
524.0 2.9
525.0 19.0
526.0 5.7
527.0 18.8
528.0 4.1
529.0 6.3
530.0 1.4
586.0 2.5
587.0 3.9
588.0 7.2
589.0 6.8
590.0 11.0
591.0 6.6
592.0 7.4
593.0 3.0
594.0 2.2
602.0 1.7
603.0 4.4
604.0 4.3
605.0 5.3
606.0 6.0
607.0 3.5
608.0 2.5
609.0 1.5
666.0 9.3
667.0 2.2
668.0 34.8
669.0 8.2
670.0 51.1
671.0 12.1
672.0 36.2
673.0 7.5
674.0 11.3
675.0 2.1