3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE(4568-71-2) Raman
Molecular FormulaC13H16ClNOS
Molecular Weight269.79
InChIInChI=1S/C13H16NOS.ClH/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12;/h2-6,10,15H,7-9H2,1H3;1H/q+1;/p-1
InChIKey IWSVLBKHBJGMAA-UHFFFAOYSA-M
Smiles[N+]1(=CSC(CCO)=C1C)CC1=CC=CC=C1.[Cl-]
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Mass
MS-NW-7935
3-benzyl-5-(2-hydroxyethyl)-4-mehylthiazolium chloride
C13H16ClNOS (Mass of molecular ion: 269)
Source Temperature: 180 °C
Sample Temperature: 190 °C
Direct, 75 eV
17.0 1.9
18.0 7.8
26.0 1.4
27.0 3.6
28.0 2.4
29.0 1.2
31.0 3.1
35.0 1.2
36.0 8.4
38.0 2.7
39.0 8.6
40.0 1.2
41.0 5.1
42.0 1.4
43.0 5.6
44.0 1.2
45.0 11.2
45.5 1.0
50.0 3.1
51.0 4.7
52.0 1.9
53.0 3.3
55.0 2.8
57.0 1.9
58.0 2.2
59.0 3.7
61.0 1.2
62.0 2.6
63.0 5.5
64.0 1.5
65.0 10.6
68.0 1.5
69.0 1.7
71.0 3.5
72.0 2.3
73.0 1.7
77.0 1.5
83.0 1.7
84.0 2.0
85.0 14.0
86.0 3.0
87.0 1.6
89.0 4.8
90.0 2.4
91.0 100.0
92.0 8.9
98.0 1.1
99.0 1.2
112.0 45.0
113.0 17.1
114.0 3.3
115.0 1.9
116.0 1.2
117.0 1.9
121.0 1.0
125.0 2.5
126.0 15.4
127.0 2.2
128.0 5.4
143.0 17.3
144.0 1.8
145.0 1.2
202.0 1.5
222.0 2.2
223.0 1.4
232.0 2.6
233.0 1.2
234.0 14.8
235.0 3.3
236.0 1.0
253.0 6.9
254.0 1.2
284.0 3.1
323.0 2.9
375.0 4.4
376.0 1.1