3,4,5,6-Tetrabromophenolsulfonephthalein(77172-72-6) IR2
Product Name3,4,5,6-Tetrabromophenolsulfonephthalein
CAS77172-72-6
Molecular FormulaC19H10Br4O5S
Molecular Weight669.96
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MassMS-NW-9595 3,4,5,6-tetrabromophenolsulfonephthalein C19H10Br4O5S (Mass of molecular ion: 666)
Source Temperature: 210 °C Sample Temperature: 210 °C Direct, 75 eV
17.0 11.4 18.0 53.5 27.0 2.1 28.0 7.9 29.0 1.1 32.0 2.1 35.0 1.8 36.0 19.3 37.0 1.7 38.0 6.6 39.0 11.8 40.0 7.3 41.0 1.9 43.0 2.4 44.0 4.0 47.0 2.9 48.0 28.4 50.0 3.0 51.0 3.9 52.0 1.1 53.0 2.2 55.0 7.5 57.0 2.1 60.0 1.4 61.0 2.7 62.0 1.7 63.0 4.1 64.0 90.5 65.0 32.0 66.0 25.7 67.0 2.3 68.0 1.2 69.0 1.5 71.0 1.4 72.0 5.5 73.0 1.8 74.0 1.9 77.0 1.2 79.0 10.7 80.0 33.1 81.0 15.9 82.0 37.6 83.0 1.3 84.0 1.0 93.0 3.8 93.5 1.1 94.0 100.0 95.0 7.9 96.0 1.0 97.0 1.1 105.5 2.0 106.0 2.1 106.5 3.8 107.0 1.7 109.0 1.0 111.0 1.0 112.0 1.0 115.0 2.0 116.0 3.0 117.0 2.0 120.0 1.6 121.0 5.6 134.5 2.3 135.0 1.8 151.0 3.3 153.0 3.5 155.5 1.3 156.5 1.4 157.0 1.1 160.0 1.3 161.0 1.3 174.0 1.1 174.5 3.9 175.0 1.3 175.5 3.6 185.0 1.5 196.0 1.0 203.0 1.1 204.0 1.3 205.0 1.0 211.0 1.9 212.0 1.1 213.0 3.3 214.0 1.0 215.0 1.0 230.0 2.1 232.0 4.1 234.0 1.9 240.0 1.3 241.0 1.0 242.0 2.2 254.5 1.7 255.5 1.6 269.0 1.6 270.0 1.3 309.0 1.1 311.0 4.1 313.0 3.8 315.0 1.2 320.0 1.2 322.0 1.3 337.0 1.7 339.0 1.9 341.0 1.6 349.0 6.0 350.0 1.5 351.0 6.2 352.0 1.2 390.0 1.6 392.0 2.2 394.0 1.5 418.0 2.7 420.0 3.9 422.0 2.7 429.0 1.7 430.0 1.0 431.0 1.3 432.0 1.4 434.0 3.9 436.0 4.6 438.0 2.6 496.0 1.1 498.0 4.2 500.0 6.4 502.0 4.9 504.0 1.1 507.0 2.7 509.0 7.7 510.0 2.3 511.0 7.6 512.0 2.5 513.0 2.6 514.0 1.1 588.0 2.8 590.0 3.9 592.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C19 H10 Br4 O5 S 0.031 g : 0.5 ml DMSO-d6 3,4,5,6-tetrabromophenolsulfonephthalein 
Assign. Shift(ppm)
A 7.138 B 6.810
Hz ppm Int.2857.54 7.151 851 2848.75 7.129 1000 2725.95 6.821 981 2717.04 6.799 891
DMSO-d6
KBr disc
nujol mull
