Fast Red ITR(97-35-8) 13C NMR
Molecular FormulaC11H18N2O3S
Molecular Weight258.34
InChIInChI=1S/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3
InChIKey WBGVVXSCGNGJFL-UHFFFAOYSA-N
SmilesC1(S(N(CC)CC)(=O)=O)=CC=C(OC)C(N)=C1
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Mass
MS-NW-8295
Fast Red ITR base
C11H18N2O3S (Mass of molecular ion: 258)
Source Temperature: 180 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 1.0
18.0 3.5
27.0 2.3
28.0 5.3
29.0 4.5
30.0 1.4
39.0 1.6
41.0 2.2
42.0 5.3
44.0 4.9
51.0 3.4
52.0 8.0
53.0 2.9
54.0 1.1
56.0 2.1
58.0 2.7
63.0 1.5
64.0 1.6
65.0 6.0
66.0 1.1
67.0 4.4
72.0 53.1
73.0 2.6
77.0 6.9
78.0 4.3
79.0 8.5
80.0 3.8
90.0 2.0
91.0 1.7
92.0 6.8
93.0 3.7
94.0 3.2
95.0 1.4
106.0 1.8
107.0 4.5
108.0 13.9
109.0 1.1
121.0 1.9
121.5 2.2
122.0 100.0
123.0 27.7
124.0 2.7
138.0 3.8
139.0 1.1
155.0 2.2
170.0 2.9
179.0 2.0
186.0 52.8
187.0 6.6
188.0 3.0
214.0 1.6
243.0 13.0
244.0 1.7
258.0 41.2
259.0 5.8
260.0 2.4