Tetracycline(60-54-8) 1H NMR
Product NameTetracycline
CAS60-54-8
Molecular FormulaC22H24N2O8
Molecular Weight444.43
InChIInChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
InChIKey OFVLGDICTFRJMM-WESIUVDSSA-N
SmilesC1(=O)[C@]2(O)[C@@]([H])(C[C@@]3([H])C(=C2O)C(=O)C2=C(C=CC=C2O)[C@]3(O)C)[C@H](N(C)C)C(O)=C1C(N)=O
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MassMS-NW-7870 tetracycline C22H24N2O8 2H2O (Mass of molecular ion: 444)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
12.0 2.0 15.0 9.4 16.0 9.7 17.0 11.7 18.0 32.8 27.0 1.8 28.0 16.8 29.0 1.7 30.0 5.8 39.0 1.5 40.0 2.5 41.0 4.2 42.0 15.2 43.0 9.0 44.0 100.0 45.0 22.7 46.0 6.8 55.0 1.4 56.0 1.4 57.0 2.1 58.0 21.3 59.0 2.2 69.0 1.6 70.0 1.4 71.0 2.5 72.0 5.3 76.0 1.0 77.0 1.1 82.0 1.3 84.0 8.8 85.0 1.3 86.0 1.1 87.0 1.6 88.0 2.2 89.0 1.0 98.0 4.0 100.0 2.3 102.0 1.7 113.0 1.2 114.0 1.1 115.0 1.9 126.0 1.4 127.0 2.1 128.0 1.7 129.0 1.0 130.0 1.1 138.0 1.7 139.0 5.3 140.0 1.4 141.0 1.3 151.0 1.6 152.0 2.9 153.0 1.7 154.0 1.4 158.0 1.4 163.0 1.2 165.0 2.0 170.0 1.9 171.0 1.2 174.0 1.1 181.0 2.0 182.0 1.0 186.0 1.1 187.0 1.4 188.0 1.0 195.0 1.3 196.0 1.1 197.0 1.9 210.0 1.5 211.0 1.9 212.0 1.1 213.0 4.5 214.0 1.4 224.0 1.2 225.0 2.8 226.0 1.4 227.0 2.3 238.0 1.0 239.0 2.8 240.0 2.7 241.0 14.6 242.0 2.8 252.0 1.4 255.0 1.2 256.0 7.2 257.0 1.7 266.0 1.1 268.0 2.5 269.0 1.0 283.0 1.0 296.0 1.4 313.0 1.6 314.0 2.4 426.0 2.1
KBr disc
nujol mull
