新亚甲基蓝N(1934-16-3)红外图谱(IR2)
分子式:C18H22ClN3S
分子量: 347.91
InChI:InChI=1S/C18H22N3S.ClH/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;/h7-10,19-20H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKey: NZYCYASKVWSANA-UHFFFAOYSA-M
Smiles:C12C=C(C(C)=CC1=NC1C=C(C)C(NCC)=CC=1[S+]=2)NCC.[Cl-]
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Mass
MS-IW-4329
new methylene blue
C18H22ClN3S (Mass of molecular ion: 347)
Source Temperature: 200 °C
Sample Temperature: 200 °C
Direct, 75 eV
17.0 1.3
18.0 7.0
26.0 1.9
27.0 5.4
28.0 15.9
34.0 1.0
35.0 1.4
36.0 18.5
38.0 6.1
39.0 1.0
41.0 1.0
44.0 1.7
65.0 1.0
77.0 1.5
91.0 1.5
93.0 1.2
97.5 1.1
98.0 1.1
103.0 1.2
104.0 1.7
105.0 1.5
106.0 1.3
107.0 1.6
111.5 2.2
112.0 2.4
112.5 1.5
113.0 1.0
114.0 1.4
119.0 1.7
120.0 2.3
120.5 3.0
121.0 7.1
121.5 1.3
126.5 1.0
127.0 1.3
127.5 3.1
128.0 3.3
128.5 11.6
129.0 2.4
133.5 1.0
134.0 1.3
134.5 2.6
135.0 5.7
135.5 1.2
139.5 1.1
141.5 2.4
142.0 1.1
142.5 2.9
149.0 1.2
156.5 1.0
167.0 1.4
168.0 1.1
180.0 1.4
181.0 1.5
182.0 2.4
183.0 1.1
192.0 1.0
194.0 1.3
195.0 3.6
196.0 3.4
197.0 2.4
198.0 1.0
206.0 1.0
207.0 2.0
208.0 2.6
209.0 4.6
210.0 4.0
211.0 2.5
212.0 1.2
213.0 1.0
214.0 1.2
215.0 1.2
222.0 3.4
223.0 8.8
224.0 25.1
225.0 12.6
226.0 3.1
227.0 3.3
228.0 2.0
229.0 1.5
235.0 1.3
236.0 1.2
237.0 1.1
239.0 2.2
240.0 2.3
241.0 4.8
242.0 11.9
243.0 3.0
244.0 1.1
246.0 3.0
247.0 2.3
251.0 1.7
252.0 1.6
253.0 1.5
254.0 1.6
255.0 4.4
256.0 35.6
257.0 100.0
258.0 18.6
259.0 6.2
260.0 1.5
267.0 1.1
268.0 1.7
269.0 1.8
270.0 4.5
271.0 2.6
274.0 2.5
275.0 1.4
277.0 1.2
278.0 1.7
279.0 8.9
280.0 2.1
281.0 1.2
282.0 2.0
283.0 6.9
284.0 9.5
285.0 39.5
286.0 8.3
287.0 2.6
293.0 1.1
296.0 1.1
297.0 1.8
298.0 1.1
299.0 1.1
306.0 1.1
307.0 7.0
308.0 1.7
309.0 1.1
311.0 3.7
312.0 2.2
313.0 12.5
314.0 2.8
335.0 1.1