硫黃素 T(2390-54-7)紅外圖譜(IR2)
分子式:C17H19ClN2S
分子量: 318.86
InChI:InChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1
InChIKey: JADVWWSKYZXRGX-UHFFFAOYSA-M
Smiles:C1(=[N+](C)C2C=CC(C)=CC=2S1)C1C=CC(N(C)C)=CC=1.[Cl-]
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Mass
MS-NW-1826
thioflavin T
C17H19ClN2S (Mass of molecular ion: 318)
Source Temperature: 240 °C
Sample Temperature: 220 °C
Direct, 75 eV
15.0 3.5
39.0 1.3
42.0 2.1
45.0 1.8
50.0 10.3
51.0 1.6
52.0 3.3
63.0 1.5
69.0 1.7
77.0 4.0
78.0 2.9
89.0 1.0
102.0 1.1
111.5 2.9
121.0 6.9
122.0 3.0
123.0 1.7
125.0 2.3
125.5 1.0
126.0 1.5
129.0 1.0
133.0 11.9
133.5 8.7
134.0 9.8
134.5 2.0
145.0 2.2
209.0 2.7
222.0 1.1
223.0 1.4
224.0 5.2
225.0 2.5
226.0 1.8
251.0 5.4
252.0 11.7
253.0 7.6
254.0 3.8
266.0 1.2
267.0 42.0
268.0 100.0
269.0 20.4
270.0 6.1