甲酚紅(1733-12-6)核磁圖(1HNMR)
分子式:C21H18O5S
分子量: 382.43
InChI:InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3
InChIKey: OBRMNDMBJQTZHV-UHFFFAOYSA-N
Smiles:S1(=O)(=O)C2=CC=CC=C2C(C2=CC=C(O)C(C)=C2)(C2=CC=C(O)C(C)=C2)O1
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Mass
MS-NW-0385
cresol red
C21H18O5S (Mass of molecular ion: 382)
Source Temperature: 180 °C
Sample Temperature: 280 °C
Direct, 75 eV
18.0 2.9
27.0 1.1
28.0 1.6
39.0 2.6
41.0 1.1
43.0 1.0
48.0 1.5
50.0 1.1
51.0 2.5
52.0 1.3
53.0 1.6
55.0 1.6
63.0 1.7
64.0 4.0
75.0 1.0
76.0 1.9
77.0 7.6
78.0 1.9
79.0 3.0
88.0 1.1
89.0 1.4
90.0 1.2
91.0 1.1
94.5 1.3
100.0 1.2
101.0 2.7
104.0 1.0
106.5 1.6
107.0 6.5
107.5 1.1
108.0 5.4
109.0 1.0
113.0 4.0
113.5 1.0
114.0 1.3
115.0 2.3
118.5 1.0
119.0 1.8
119.5 3.7
120.0 1.9
121.0 1.4
123.0 1.3
125.0 1.2
126.0 2.2
127.0 1.4
127.5 1.2
128.0 2.2
129.0 1.2
133.0 2.3
134.0 2.6
134.5 1.3
135.0 8.0
136.0 1.8
139.0 1.8
141.0 1.1
142.0 1.5
142.5 1.2
143.0 2.6
143.5 3.0
144.0 1.2
150.0 3.5
150.5 1.2
151.0 3.2
152.0 4.1
153.0 2.0
163.0 1.2
164.0 1.0
165.0 7.8
166.0 2.4
168.0 2.0
169.0 1.0
176.0 1.1
178.0 1.3
181.0 3.7
182.0 1.6
189.0 2.4
191.0 1.1
194.0 2.9
195.0 11.7
196.0 2.6
197.0 1.3
200.0 1.2
201.0 1.0
202.0 3.8
203.0 1.5
210.0 2.4
211.0 3.6
212.0 1.0
213.0 3.7
214.0 2.0
215.0 3.7
216.0 1.2
226.0 3.8
227.0 2.8
228.0 2.2
229.0 1.9
231.0 1.7
239.0 4.1
240.0 1.9
241.0 1.9
242.0 1.9
243.0 1.4
244.0 2.1
245.0 1.5
252.0 1.1
255.0 3.9
256.0 2.1
257.0 4.0
258.0 3.9
259.0 2.1
268.0 1.1
269.0 2.1
270.0 1.0
271.0 4.7
272.0 4.7
273.0 2.6
274.0 1.1
275.0 8.3
276.0 2.3
284.0 1.3
285.0 15.6
286.0 5.4
287.0 100.0
288.0 22.8
289.0 3.2
299.0 1.4
300.0 10.8
301.0 28.4
302.0 50.6
303.0 20.4
304.0 3.7
316.0 1.1
317.0 5.5
318.0 2.8
382.0 37.8
383.0 9.3
384.0 3.4