Triclocarban(101-20-2) 1H NMR
Product NameTriclocarban
CAS101-20-2
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.58
InChIInChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
InChIKey ICUTUKXCWQYESQ-UHFFFAOYSA-N
SmilesN(C1=CC=C(Cl)C=C1)C(NC1=CC=C(Cl)C(Cl)=C1)=O
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MassMS-NW-8284 1-(p-chlorophenyl)-3-(3,4-dichlorophenyl)urea C13H9Cl3N2O (Mass of molecular ion: 314)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 2.2 28.0 2.0 36.0 1.3 37.0 1.6 38.0 2.7 39.0 4.2 41.0 1.6 44.5 1.1 45.5 1.0 49.0 1.3 50.0 2.5 51.0 1.7 52.0 1.8 61.0 2.1 62.0 4.6 62.5 1.0 63.0 10.5 64.0 5.1 65.0 9.1 66.0 1.2 72.0 1.1 73.0 6.1 74.0 2.7 75.0 7.0 76.0 1.4 85.0 1.0 88.0 1.9 89.0 2.3 90.0 12.8 91.0 5.1 92.0 7.7 97.0 2.1 98.0 1.9 99.0 13.8 100.0 5.6 101.0 4.6 102.0 1.7 109.0 2.4 111.0 4.5 113.0 1.2 124.0 8.3 125.0 11.3 126.0 15.2 127.0 100.0 128.0 10.7 129.0 31.1 130.0 2.2 133.0 3.5 134.0 1.9 135.0 2.3 136.0 1.2 145.0 1.6 147.0 1.0 153.0 13.7 154.0 2.3 155.0 4.5 159.0 4.0 160.0 3.9 161.0 85.9 162.0 8.4 163.0 53.9 164.0 4.3 165.0 8.7 187.0 12.4 188.0 1.5 189.0 7.9 191.0 1.3 314.0 20.1 315.0 3.2 316.0 19.3 317.0 2.9 318.0 6.3
KBr disc
nujol mull
