Cephalexin(15686-71-2) IR1
Product NameCephalexin
CAS15686-71-2
Molecular FormulaC16H17N3O4S
Molecular Weight347.39
InChIInChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
InChIKey ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
SmilesN12[C@@]([H])([C@H](NC([C@H](N)C3=CC=CC=C3)=O)C1=O)SCC(C)=C2C(O)=O
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MassMS-IW-3434 cefalexin C16H17N3O4S (Mass of molecular ion: 347)
Source Temperature: 190 °C Sample Temperature: 190 °C Direct, 75 eV
12.0 1.0 16.0 2.2 17.0 1.1 18.0 2.9 27.0 2.5 28.0 14.1 29.0 3.6 30.0 3.4 32.0 5.6 33.0 5.1 34.0 13.0 39.0 5.8 40.0 1.7 41.0 9.9 42.0 3.3 43.0 1.8 44.0 89.5 45.0 6.5 46.0 3.5 47.0 4.3 50.0 1.7 51.0 5.2 52.0 2.2 53.0 3.3 54.0 3.3 55.0 15.6 56.0 5.4 57.0 2.8 59.0 1.9 60.0 3.8 63.0 1.8 65.0 1.3 67.0 1.5 68.0 3.9 69.0 3.0 70.0 3.3 71.0 2.2 72.0 3.2 73.0 4.6 74.0 2.2 75.0 1.1 76.0 1.5 77.0 12.9 78.0 4.4 79.0 8.6 80.0 2.3 81.0 1.5 82.0 2.1 85.0 2.4 86.0 2.5 87.0 5.7 88.0 2.1 89.0 6.6 90.0 6.4 91.0 10.9 92.0 1.5 93.0 1.1 94.0 1.6 95.0 2.9 97.0 1.0 99.0 3.1 100.0 7.8 101.0 3.3 102.0 1.2 103.0 2.1 104.0 16.2 105.0 7.9 106.0 43.1 107.0 5.2 108.0 1.9 109.0 1.2 112.0 3.3 113.0 1.8 114.0 8.9 115.0 12.4 116.0 6.1 117.0 2.8 118.0 13.8 119.0 1.9 120.0 1.2 122.0 1.4 125.0 1.2 126.0 2.4 127.0 2.6 128.0 1.9 129.0 6.1 130.0 1.6 131.0 1.0 132.0 11.1 133.0 3.1 134.0 1.0 135.0 1.0 137.0 1.1 137.5 2.0 138.0 1.2 140.0 1.5 141.0 5.8 142.0 7.1 143.0 5.4 144.0 2.3 145.0 1.1 146.0 1.2 147.0 2.0 148.0 1.2 149.0 1.2 154.0 1.2 155.0 1.2 156.0 13.8 157.0 2.5 158.0 2.0 160.0 1.4 161.0 9.1 162.0 1.2 169.0 1.3 170.0 12.1 171.0 3.6 172.0 1.5 173.0 1.1 176.0 5.6 181.0 2.5 186.0 1.6 188.0 5.0 189.0 9.5 190.0 2.9 191.0 1.2 197.0 6.0 198.0 4.2 199.0 1.4 200.0 5.8 201.0 1.3 202.0 1.2 212.0 20.8 213.0 3.0 214.0 2.3 215.0 2.1 217.0 6.2 218.0 1.4 226.0 5.8 227.0 1.3 228.0 8.5 229.0 2.5 230.0 2.2 231.0 1.1 232.0 6.5 233.0 2.6 234.0 1.3 241.0 2.9 242.0 1.5 256.0 3.4 257.0 1.7 259.0 1.2 260.0 1.3 261.0 15.6 262.0 2.5 270.0 1.3 274.0 1.3 285.0 4.4 286.0 4.0 288.0 1.3 301.0 2.5 302.0 3.0 303.0 100.0 304.0 19.1 305.0 6.5 306.0 1.0 355.0 2.3
KBr disc
nujol mull
