ABTS(30931-67-0) Raman
Product NameABTS
CAS30931-67-0
Molecular FormulaC18H24N6O6S4
Molecular Weight548.68
InChIInChI=1S/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18-;;
InChIKey OHDRQQURAXLVGJ-AXMZSLBLSA-N
SmilesC12C=CC(S(=O)(=O)O)=CC=1S/C(=N\N=C1/SC3C=C(S(=O)(=O)O)C=CC=3N/1CC)/N2CC.N.N
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MassMS-NW-9272 2,2'-azinobis(3-ethyl-2,3-dihydro-6-benzothiazolesulfonic acid) diammonium salt C18H24N6O6S4 (Mass of molecular ion: 548)
Source Temperature: 240 °C Sample Temperature: 260 °C Direct, 75 eV
16.0 4.4 17.0 11.9 18.0 44.0 26.0 2.3 27.0 5.6 28.0 11.8 29.0 2.1 32.0 2.5 38.0 2.1 39.0 4.9 41.0 2.1 42.0 1.2 43.0 1.9 44.0 5.8 45.0 5.7 48.0 18.6 50.0 3.2 51.0 4.6 52.0 2.6 53.0 1.2 54.0 1.0 55.0 1.2 57.0 1.6 58.0 3.2 60.0 1.4 62.0 1.7 63.0 6.3 64.0 46.8 65.0 5.2 66.0 1.9 69.0 10.3 70.0 2.6 71.0 1.2 75.0 3.4 76.0 1.2 77.0 1.9 78.0 3.5 79.0 2.0 80.0 1.0 81.0 1.7 82.0 4.6 90.0 2.3 91.0 3.5 92.0 1.1 93.0 1.5 95.0 2.5 96.0 22.0 97.0 2.0 98.0 1.1 105.0 4.3 106.0 3.3 107.0 1.4 108.0 10.9 109.0 11.5 110.0 1.6 117.0 1.6 118.0 5.9 119.0 1.0 121.0 1.3 122.0 8.3 123.0 31.4 124.0 3.6 125.0 1.5 134.0 3.6 135.0 7.4 136.0 13.0 137.0 1.6 148.0 1.0 149.0 4.4 150.0 100.0 151.0 11.7 152.0 5.7 161.0 2.6 162.0 1.8 163.0 6.4 175.0 1.9 177.0 5.9 178.0 17.7 179.0 3.2 180.0 1.0 191.0 1.0 205.0 1.1 269.0 2.8 283.0 2.0 311.0 1.7 325.0 1.0 326.0 1.7 354.0 6.7 355.0 1.4
in DMSO-d6
KBr disc
nujol mull
