Phenylthiohydantoin-aspartic acid(5624-08-8) IR1
Product NamePhenylthiohydantoin-aspartic acid
CAS5624-08-8
Molecular FormulaC11H11N3O2S
Molecular Weight249.29
InChIInChI=1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)
InChIKey ZQGVIKNSDQBZSS-UHFFFAOYSA-N
SmilesC1(=S)N(C2=CC=CC=C2)C(=O)C(CC(N)=O)N1
-
MassMS-NW-2046 5-carbamoylmethyl-3-phenyl-2-thioxo-4-imidazolidone C11H11N3O2S (Mass of molecular ion: 249)
Source Temperature: 210 °C Sample Temperature: 250 °C Direct, 75 eV
15.0 1.8 16.0 1.4 17.0 2.5 18.0 12.7 26.0 4.6 27.0 11.6 28.0 17.4 32.0 4.6 33.0 1.9 34.0 6.5 37.0 1.7 38.0 3.6 39.0 8.7 40.0 2.9 41.0 6.4 42.0 9.1 43.0 6.4 44.0 13.8 45.0 2.2 50.0 6.5 51.0 23.2 52.0 4.6 53.0 2.3 54.0 3.9 55.0 6.3 58.0 2.8 59.0 9.6 60.0 4.8 61.0 1.4 62.0 1.3 63.0 5.0 64.0 6.6 65.0 9.2 66.0 5.6 67.0 1.3 68.0 3.6 69.0 1.9 70.0 6.3 72.0 5.1 74.0 2.3 75.0 2.1 76.0 4.4 77.0 67.1 78.0 6.5 80.0 1.4 83.0 5.8 84.0 10.3 85.0 18.6 86.0 11.3 87.0 2.2 88.0 1.1 90.0 2.0 91.0 15.6 92.0 6.4 93.0 43.4 94.0 4.9 95.0 1.4 97.0 2.9 98.0 2.6 100.0 2.5 102.0 1.1 103.0 5.3 104.0 20.3 105.0 3.1 106.0 1.3 107.0 1.2 108.0 2.0 109.0 5.4 110.0 1.9 111.0 6.9 112.0 14.5 113.0 2.0 114.0 1.1 117.0 10.5 118.0 8.8 119.0 11.8 120.0 6.5 128.0 3.4 129.0 3.2 130.0 6.2 132.0 1.1 134.0 1.5 135.0 49.7 136.0 19.1 137.0 3.6 138.0 1.0 142.0 1.1 143.0 1.1 144.0 6.5 145.0 4.0 146.0 7.6 147.0 3.0 148.0 3.2 150.0 1.0 151.0 1.8 152.0 1.2 156.0 3.8 161.0 1.2 171.0 2.5 172.0 3.9 173.0 7.6 174.0 3.6 175.0 2.8 177.0 3.2 187.0 4.5 197.0 1.4 200.0 1.3 202.0 3.7 203.0 22.4 204.0 38.5 205.0 47.0 206.0 7.3 207.0 2.3 215.0 11.6 216.0 1.8 217.0 2.7 228.0 3.6 229.0 9.2 230.0 11.7 231.0 9.4 232.0 7.6 233.0 1.4 246.0 1.4 247.0 19.1 248.0 3.4 249.0 100.0 250.0 13.7 251.0 5.6
KBr disc
nujol mull
