Methabenzthiazuron(18691-97-9) 1H NMR
Product NameMethabenzthiazuron
CAS18691-97-9
Molecular FormulaC10H11N3OS
Molecular Weight221.28
InChIInChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)
InChIKey RRVIAQKBTUQODI-UHFFFAOYSA-N
SmilesN(C1=NC2=CC=CC=C2S1)(C)C(NC)=O
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MassMS2001-00749WA methabenzthiazuron C10H11N3OS (Mass of molecular ion: 221)
Source Temperature: 205 °C Sample Temperature: 25 °C Direct, 70 eV
15.0 3.2 28.0 2.0 30.0 7.0 39.0 2.0 42.0 1.5 45.0 3.6 50.0 1.1 51.0 1.9 52.0 1.0 55.0 1.0 58.0 5.9 63.0 3.2 64.0 1.4 65.0 2.4 69.0 6.0 70.0 2.0 77.0 1.7 78.0 3.5 82.0 2.5 90.0 2.2 91.0 1.7 95.0 2.6 96.0 9.0 97.0 1.0 105.0 1.8 108.0 9.4 109.0 7.4 119.0 1.2 122.0 4.5 123.0 2.1 134.0 1.6 135.0 42.8 136.0 46.8 137.0 5.7 138.0 2.2 149.0 1.1 150.0 1.4 163.0 33.3 164.0 100.0 165.0 11.2 166.0 4.7 221.0 9.3 222.0 1.5
in CDCl3
in CDCl3
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