5-Amino-4-carbethoxy-1-phenylpyrazole(16078-71-0) IR1
Product Name5-Amino-4-carbethoxy-1-phenylpyrazole
CAS16078-71-0
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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MassMS-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
KBr disc
nujol mull
