PTH-L-glutamic acid(5624-27-1) IR2
Product NamePTH-L-glutamic acid
CAS5624-27-1
Molecular FormulaC12H12N2O3S
Molecular Weight264.3
InChIInChI=1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)
InChIKey ULKNJYDXLYMGFB-UHFFFAOYSA-N
SmilesC1(=S)N(C2=CC=CC=C2)C(=O)C(CCC(O)=O)N1
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MassMS-NW-2041 1-phenyl-5-oxo-2-thioxo-4-imidazolidinepropionic acid C12H12N2O3S (Mass of molecular ion: 264)
Source Temperature: 210 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 1.4 17.0 3.4 18.0 18.1 26.0 3.0 27.0 11.9 28.0 15.9 29.0 4.0 30.0 1.3 32.0 3.3 33.0 1.6 34.0 4.8 37.0 1.9 38.0 4.1 39.0 17.9 40.0 2.8 41.0 11.8 42.0 4.1 43.0 3.3 44.0 19.9 45.0 4.4 50.0 7.5 51.0 27.1 52.0 4.7 53.0 1.5 54.0 12.4 55.0 28.8 56.0 4.7 57.0 2.1 58.0 3.2 59.0 5.4 60.0 6.0 61.0 1.0 62.0 1.5 63.0 5.0 64.0 6.3 65.0 6.1 66.0 2.1 67.0 1.6 67.5 2.2 68.0 2.4 69.0 1.7 70.0 4.3 71.0 2.5 72.0 4.8 73.0 2.2 74.0 3.3 75.0 2.6 76.0 4.8 77.0 85.4 78.0 9.8 81.0 3.3 82.0 4.1 83.0 8.5 84.0 8.5 85.0 24.8 86.0 8.5 87.0 3.3 88.0 1.4 90.0 2.3 91.0 9.8 92.0 5.3 93.0 12.6 94.0 2.0 95.0 10.4 95.5 1.0 96.0 1.4 97.0 1.1 98.0 9.9 99.0 10.9 100.0 2.1 101.0 2.3 103.0 9.1 104.0 33.2 105.0 8.6 106.0 1.6 108.0 2.7 109.0 10.4 110.0 1.7 111.0 15.4 112.0 2.5 113.0 1.5 117.0 7.1 118.0 4.1 119.0 14.9 120.0 10.5 121.0 1.1 126.0 1.3 127.0 5.6 129.0 1.0 130.0 3.8 131.0 4.7 132.0 2.9 133.0 1.2 134.0 1.7 135.0 100.0 136.0 39.0 137.0 7.4 138.0 1.8 144.0 2.7 145.0 2.2 146.0 2.5 147.0 1.5 150.0 1.2 151.0 2.7 157.0 2.3 158.0 2.1 159.0 3.3 160.0 11.5 161.0 2.5 162.0 2.2 163.0 1.5 172.0 4.5 173.0 4.7 174.0 1.2 175.0 1.8 176.0 1.5 185.0 2.7 186.0 5.8 187.0 2.4 188.0 1.8 189.0 10.4 190.0 1.7 191.0 2.5 192.0 5.8 202.0 1.5 203.0 15.7 204.0 33.2 205.0 21.6 206.0 3.9 207.0 1.2 214.0 4.9 215.0 1.1 217.0 16.3 218.0 59.5 219.0 9.2 220.0 4.1 232.0 5.0 235.0 2.9 244.0 1.5 245.0 5.7 246.0 76.8 247.0 12.0 248.0 4.7 262.0 1.5 263.0 1.3 264.0 75.4 265.0 10.9 266.0 4.8 278.0 6.1 279.0 1.1
KBr disc
nujol mull
