3-ANILINOCYCLOHEX-2-EN-1-ONE(24706-50-1) IR2
Product Name3-ANILINOCYCLOHEX-2-EN-1-ONE
CAS24706-50-1
Molecular FormulaC12H13NO
Molecular Weight187.24
InChIInChI=1S/C12H13NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-3,5-6,9,13H,4,7-8H2
InChIKey IVONJXTZXFTWNA-UHFFFAOYSA-N
SmilesC1(=O)CCCC(NC2=CC=CC=C2)=C1
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MassMS-KW-0396 3-anilino-2-cyclohexenone C12H13NO (Mass of molecular ion: 187)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 5.4 27.0 3.6 28.0 3.0 38.0 1.3 39.0 16.6 40.0 1.8 41.0 4.8 42.0 1.3 50.0 2.4 51.0 12.6 52.0 3.1 53.0 1.4 54.0 2.5 55.0 3.9 58.5 1.3 63.0 2.5 64.0 2.0 64.5 8.4 65.0 14.0 65.5 16.5 66.0 5.7 67.0 6.9 68.0 20.8 69.0 1.2 71.5 2.0 76.0 1.3 77.0 19.8 78.0 4.2 78.5 1.4 79.0 1.8 79.5 2.7 83.0 1.9 89.0 2.8 90.0 2.7 91.0 5.0 92.0 23.4 93.0 15.4 94.0 1.4 103.0 3.6 104.0 2.7 115.0 1.3 116.0 2.7 117.0 6.0 118.0 2.4 120.0 1.7 128.0 1.2 129.0 1.5 130.0 45.0 131.0 15.1 132.0 1.9 143.0 2.2 144.0 14.0 145.0 1.8 146.0 1.7 156.0 1.2 157.0 1.0 158.0 51.1 159.0 100.0 160.0 11.3 167.0 1.9 168.0 1.9 169.0 2.3 170.0 29.5 171.0 4.4 172.0 6.3 184.0 1.3 185.0 2.5 186.0 19.9 187.0 88.9 188.0 13.3 189.0 1.2
KBr disc
nujol mull
