Phenylthiohydantoin-aspartic acid(5624-13-5) IR2
Product NamePhenylthiohydantoin-aspartic acid
CAS5624-13-5
Molecular FormulaC11H10N2O3S
Molecular Weight250.27
InChIInChI=1S/C11H10N2O3S/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,14,15)
InChIKey NFUCNAREVSTFNC-UHFFFAOYSA-N
SmilesC1(=S)N(C2=CC=CC=C2)C(=O)C(CC(O)=O)N1
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MassMS-NW-2040 1-phenyl-5-oxo-2-thioxo-4-imidazolidineacetic acid C11H10N2O3S (Mass of molecular ion: 250)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
15.0 1.7 17.0 1.9 18.0 10.8 26.0 3.2 27.0 9.8 28.0 7.6 29.0 1.0 32.0 4.0 33.0 1.3 34.0 3.5 37.0 1.3 38.0 2.7 39.0 6.2 40.0 2.1 41.0 10.0 42.0 4.3 43.0 3.6 44.0 19.3 45.0 4.5 50.0 5.7 51.0 20.4 52.0 3.2 53.0 1.6 54.0 2.9 55.0 7.8 57.0 1.3 58.0 2.6 59.0 11.8 60.0 4.9 61.0 1.0 62.0 1.2 63.0 4.1 64.0 5.3 65.0 5.1 66.0 2.0 67.5 1.0 69.0 1.5 70.0 6.2 71.0 2.0 72.0 1.1 73.0 1.2 74.0 2.0 75.0 2.0 76.0 4.2 77.0 62.3 78.0 6.2 83.0 1.8 84.0 6.6 85.0 29.9 86.0 6.6 87.0 3.1 88.0 3.8 89.0 1.1 90.0 2.3 91.0 8.2 92.0 6.2 93.0 14.3 94.0 1.5 95.0 1.7 102.0 4.4 103.0 8.0 104.0 24.0 105.0 6.2 106.0 2.2 107.0 2.2 108.0 2.0 109.0 5.0 110.0 1.1 111.0 2.0 112.0 2.7 117.0 4.6 118.0 3.9 119.0 12.1 120.0 14.2 121.0 1.4 128.0 1.6 129.0 2.3 131.0 5.5 132.0 1.0 134.0 1.9 135.0 58.6 136.0 23.5 137.0 4.7 138.0 1.3 144.0 1.3 145.0 3.6 146.0 4.9 147.0 3.0 148.0 2.9 149.0 1.1 150.0 1.2 151.0 1.0 161.0 1.4 162.0 1.3 163.0 1.0 164.0 2.2 171.0 1.6 172.0 4.7 173.0 7.2 174.0 6.9 175.0 6.6 176.0 1.3 177.0 6.6 178.0 1.0 189.0 1.1 191.0 2.8 192.0 1.6 202.0 1.1 203.0 24.4 204.0 54.2 205.0 17.9 206.0 7.2 207.0 1.4 217.0 1.1 221.0 4.4 230.0 2.5 232.0 2.1 233.0 1.0 248.0 4.4 249.0 10.0 250.0 100.0 251.0 14.0 252.0 6.0 278.0 3.6
KBr disc
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