METHYL CALCEIN BLUE(54696-41-2) IR2
Product NameMETHYL CALCEIN BLUE
CAS54696-41-2
Molecular FormulaC14H15NO5
Molecular Weight277.27
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MassMS-IW-1346 methyl calcein blue C14H15NO5 (Mass of molecular ion: 277)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
14.0 1.8 15.0 9.5 16.0 1.0 17.0 2.8 18.0 19.8 27.0 3.5 28.0 11.7 29.0 4.1 30.0 7.1 31.0 4.6 38.0 1.5 39.0 4.0 40.0 2.8 41.0 4.5 42.0 24.8 43.0 17.3 44.0 100.0 45.0 13.1 50.0 1.8 51.0 4.5 52.0 2.7 53.0 1.7 55.0 1.8 57.0 1.7 58.0 3.6 60.0 7.6 62.0 1.1 63.0 2.9 65.0 2.2 66.0 1.4 74.0 1.7 75.0 1.0 76.0 1.1 77.0 6.6 78.0 7.0 79.0 2.6 89.0 15.6 90.0 2.3 91.0 3.2 92.0 1.0 102.0 2.1 103.0 8.0 104.0 4.6 105.0 4.1 106.0 1.1 115.0 1.9 119.0 1.6 131.0 16.2 132.0 6.4 133.0 3.6 134.0 1.5 145.0 1.3 147.0 4.2 148.0 4.2 149.0 1.1 159.0 3.9 160.0 39.3 161.0 18.0 162.0 18.3 163.0 2.1 176.0 4.5 188.0 29.2 189.0 22.0 190.0 38.9 191.0 5.2 218.0 2.4 231.0 5.5 232.0 4.4 233.0 15.7 234.0 2.3
400 MHz in DMSO-d6 at 70C
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1H NMR 399.65 MHz C14 H15 N O5 0.032 g : 0.5 ml DMSO-d6 at 70 C methyl calcein blue 
Assign. Shift(ppm)
A 8. B 7.507 C 6.741 D 6.043 E 3.894 F 3.182 G 2.264 J 1.907
Hz ppm Int.3004.61 7.519 94 2995.91 7.497 98 2698.52 6.753 118 2689.67 6.731 113 2415.31 6.044 133 2414.09 6.041 138 1556.40 3.895 137 1271.97 3.183 150 915.53 2.291 25 914.46 2.289 26 913.54 2.286 27 905.15 2.265 226 895.54 2.241 23 762.33 1.908 1000
in DMSO-d6
KBr disc
nujol mull
