DL-THYROXINE(300-30-1) MS
Product NameDL-THYROXINE
CAS300-30-1
Molecular FormulaC15H11I4NO4
Molecular Weight776.87
InChIInChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
InChIKey XUIIKFGFIJCVMT-LBPRGKRZSA-N
SmilesC(O)(=O)[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)N
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MassMS-IW-3541 O(4)-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine C15H11I4NO4 (Mass of molecular ion: 777)
Source Temperature: 190 °C Sample Temperature: 220 °C Direct, 75 eV
18.0 3.3 28.0 2.0 30.0 100.0 31.0 1.7 39.0 1.0 44.0 14.9 50.0 1.6 51.0 2.2 53.0 3.9 62.0 4.1 63.0 4.5 63.5 1.0 64.0 1.3 74.0 5.8 75.0 1.2 76.0 5.0 77.0 1.4 79.0 1.1 87.0 1.0 88.0 2.0 89.0 2.1 90.0 1.3 91.0 5.2 92.0 1.9 127.0 12.8 128.0 16.8 138.0 1.2 139.0 5.0 140.0 1.3 167.0 1.2 168.0 1.7 169.0 1.4 195.0 1.0 196.0 1.9 197.0 1.0 203.0 1.3 218.0 2.6 231.0 1.4 232.0 1.0 254.0 12.5 294.0 1.3 295.0 1.1 322.0 2.7 323.0 3.6 324.0 1.8 359.0 2.0 422.0 1.1 449.0 3.2 450.0 2.5 577.0 1.2 578.0 1.5 607.0 3.5 703.0 1.2 704.0 2.0 733.0 8.9 734.0 1.3
KBr disc
nujol mull
