5-AMINO-4-CARBETHOXY-1-PHENYLPYRAZOLE(16078-71-0) 1H NMR
Molecular FormulaC12H13N3O2
Molecular Weight231.25
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChIKey AYJIUOZKKTUKKD-UHFFFAOYSA-N
SmilesN1(C2=CC=CC=C2)C(N)=C(C(OCC)=O)C=N1
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Mass
MS-KW-0436
ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
C12H13N3O2 (Mass of molecular ion: 231)
Source Temperature: 150 °C
Sample Temperature: 100 °C
Direct, 75 eV
18.0 2.1
27.0 1.8
28.0 1.9
29.0 2.7
39.0 1.4
40.0 1.0
51.0 5.4
52.0 6.8
53.0 2.5
63.0 1.0
64.0 1.7
65.0 2.7
68.0 1.5
77.0 19.4
78.0 2.7
79.0 1.0
91.0 12.4
92.0 3.2
93.0 3.0
103.0 1.8
104.0 2.0
105.0 2.3
118.0 2.4
119.0 3.6
129.0 1.0
130.0 1.5
131.0 2.2
143.0 1.4
156.0 6.0
157.0 2.4
158.0 1.8
159.0 2.5
184.0 52.4
185.0 100.0
186.0 34.9
187.0 4.1
231.0 95.8
232.0 14.1
233.0 1.4