Cefaclor(53994-73-3) IR1
Product NameCefaclor
CAS53994-73-3
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81
InChIInChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
InChIKey QYIYFLOTGYLRGG-GPCCPHFNSA-N
SmilesN12[C@@]([H])([C@H](NC([C@H](N)C3=CC=CC=C3)=O)C1=O)SCC(Cl)=C2C(O)=O
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MassMS-IW-3281 Cefaclor C15H14ClN3O4S (Mass of molecular ion: 367)
Source Temperature: 190 °C Sample Temperature: 220 °C Direct, 75 eV
16.0 3.0 17.0 2.5 18.0 5.0 27.0 1.1 28.0 13.3 29.0 1.6 30.0 11.8 32.0 5.2 33.0 4.8 34.0 12.7 35.0 10.2 36.0 73.4 37.0 3.5 38.0 24.9 39.0 2.9 41.0 1.2 42.0 1.2 43.0 1.8 44.0 100.0 45.0 4.6 46.0 1.1 50.0 2.0 51.0 5.2 52.0 2.6 53.0 1.6 54.0 1.1 56.0 1.7 57.0 1.4 58.0 1.2 59.0 1.0 60.0 2.6 63.0 1.6 71.0 2.7 72.0 1.6 76.0 1.5 77.0 9.6 78.0 4.3 79.0 6.0 80.0 1.5 85.0 1.2 89.0 2.9 90.0 4.2 91.0 6.9 92.0 1.2 98.0 4.0 99.0 11.5 100.0 1.6 103.0 1.9 104.0 17.5 105.0 6.1 106.0 29.0 107.0 3.0 112.0 1.0 117.0 1.2 118.0 12.7 119.0 5.8 125.0 1.1 126.0 1.6 127.0 1.8 128.0 1.1 132.0 3.0 133.0 1.2 134.0 2.3 139.0 2.2 140.0 1.0 146.0 1.0 147.0 21.9 148.0 2.7 161.0 2.2 162.0 2.0 173.0 1.8 188.0 1.2 189.0 1.1 190.0 8.7 191.0 1.2 217.0 1.4 285.0 1.2 286.0 1.9 287.0 7.3 288.0 1.4
KBr disc
nujol mull
