溴甲酚紫(115-40-2)核磁图(1HNMR)
分子式:C21H16Br2O5S
分子量: 540.22
InChI:InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3
InChIKey: ABIUHPWEYMSGSR-UHFFFAOYSA-N
Smiles:S1(=O)(=O)C2=CC=CC=C2C(C2=CC(C)=C(O)C(Br)=C2)(C2=CC(C)=C(O)C(Br)=C2)O1
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Mass
MS-NW-0363
bromocresol purple
C21H16Br2O5S (Mass of molecular ion: 538)
Source Temperature: 200 °C
Sample Temperature: 220 °C
Direct, 75 eV
39.0 2.3
43.0 1.0
48.0 1.4
50.0 2.1
51.0 6.4
52.0 1.9
53.0 2.3
63.0 2.5
64.0 3.1
65.0 1.0
67.0 1.1
74.0 1.0
75.0 2.5
76.0 4.3
77.0 10.7
78.0 9.5
79.0 2.8
80.0 6.7
81.0 2.6
82.0 6.7
87.0 1.5
88.0 1.8
89.0 1.5
93.5 1.1
94.0 1.0
94.5 2.2
99.0 1.0
100.0 2.7
101.0 3.7
102.0 1.0
104.0 2.7
105.0 3.3
106.0 3.6
106.5 3.3
107.0 2.7
107.5 1.7
108.0 1.3
112.0 2.3
112.5 1.2
113.0 8.7
113.5 2.3
114.0 1.7
115.0 2.2
118.5 2.7
119.0 3.5
119.5 5.2
120.0 2.7
121.0 2.3
122.0 1.4
125.0 2.5
125.5 1.0
126.0 4.9
126.5 1.0
127.0 2.0
127.5 4.3
128.0 4.0
128.5 1.2
133.0 1.0
134.0 2.5
134.5 1.2
135.0 2.2
135.5 1.7
136.0 1.7
136.5 1.9
137.0 1.1
139.0 3.2
141.0 1.5
142.0 2.6
142.5 2.2
143.0 1.5
144.0 2.3
149.0 2.6
149.5 1.3
150.0 3.6
150.5 3.9
151.0 3.2
152.0 6.2
153.0 4.4
154.0 1.2
157.0 1.1
158.0 2.9
163.0 3.3
164.0 3.1
165.0 9.2
166.0 2.3
175.0 1.0
176.0 1.8
181.0 7.5
182.0 3.8
183.0 2.0
185.0 1.7
186.0 1.0
187.0 1.8
188.0 1.2
189.0 4.1
189.5 1.6
190.0 1.9
190.5 1.6
195.0 1.1
200.0 2.6
201.0 1.8
202.0 4.9
203.0 1.7
209.0 3.0
210.0 7.8
211.0 3.0
212.0 1.3
213.0 7.1
214.0 1.9
215.0 6.4
216.0 1.3
224.0 2.1
225.0 2.0
226.0 10.3
227.0 5.5
228.0 3.4
229.0 1.9
229.5 6.3
230.0 1.7
230.5 6.3
231.0 1.9
237.0 2.1
238.0 1.5
239.0 9.1
240.0 3.5
241.0 2.5
242.0 3.0
243.0 1.6
244.0 1.1
245.0 1.5
250.0 1.1
252.0 2.1
253.0 2.4
254.0 1.1
255.0 12.3
256.0 7.5
257.0 3.9
258.0 1.2
268.0 1.8
269.0 4.2
270.0 3.0
271.0 5.7
272.0 3.0
273.0 3.7
274.0 1.5
275.0 3.6
283.0 1.5
284.0 2.1
285.0 5.8
286.0 1.6
287.0 1.3
288.0 1.4
289.0 2.6
290.0 1.8
291.0 2.4
298.0 1.9
299.0 3.3
300.0 2.6
301.0 3.9
302.0 1.2
315.0 3.0
316.0 1.5
335.0 1.0
336.0 1.5
337.0 1.8
338.0 1.2
339.0 1.1
349.0 1.8
350.0 1.5
351.0 2.0
352.0 1.8
353.0 10.6
354.0 2.0
355.0 10.6
356.0 1.7
363.0 1.7
365.0 3.2
366.0 1.2
367.0 1.9
369.0 1.2
371.0 1.8
372.0 1.4
373.0 1.1
378.0 2.7
379.0 99.8
380.0 26.9
381.0 100.0
382.0 23.6
383.0 3.7
393.0 1.8
394.0 1.3
395.0 10.3
396.0 3.2
397.0 8.7
398.0 2.0
443.0 8.3
444.0 2.2
445.0 14.4
446.0 3.3
447.0 7.1
448.0 1.6
457.0 3.0
458.0 6.4
459.0 12.6
460.0 12.2
461.0 15.2
462.0 7.8
463.0 5.5
464.0 1.2
473.0 1.4
474.0 1.3
475.0 2.9
476.0 1.8
477.0 1.5
538.0 16.8
539.0 4.4
540.0 32.9
541.0 8.2
542.0 18.6
543.0 4.2
544.0 1.5