4,5,6,7-Tetrabromophenolphthalein(13027-28-6) MS
Product Name4,5,6,7-Tetrabromophenolphthalein
CAS13027-28-6
Molecular FormulaC20H10Br4O4
Molecular Weight633.91
InChIInChI=1S/C20H10Br4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H
InChIKey GNJLVMKERYSIAI-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C(Br)=C(Br)C(Br)=C2Br)C(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)O1
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MassMS-NW-9040 4,5,6,7-tetrabromophenolphthalein C20H10Br4O4 (Mass of molecular ion: 630)
Source Temperature: 200 °C Sample Temperature: 230 °C Direct, 75 eV
17.0 1.1 18.0 5.0 28.0 1.7 36.0 9.4 44.0 1.5 48.0 1.8 60.0 5.6 72.0 31.7 73.0 2.4 76.0 1.1 77.0 1.1 79.0 4.0 80.0 3.4 81.0 3.8 82.0 3.4 90.0 2.7 91.0 2.7 93.0 2.0 100.0 1.4 115.0 10.7 116.0 13.4 117.0 10.4 127.0 1.1 129.0 1.8 130.0 1.3 131.0 1.5 139.0 2.4 141.0 2.3 151.0 31.7 152.0 2.3 153.0 31.1 154.0 2.3 154.5 2.9 155.5 8.6 156.5 8.4 157.5 2.6 179.0 6.0 181.0 5.7 194.0 2.1 195.0 7.5 196.0 11.5 197.0 7.3 198.0 1.9 208.0 2.0 209.0 2.6 210.0 4.4 211.0 2.4 230.0 30.8 231.0 2.8 232.0 60.4 233.0 4.9 234.0 29.7 235.0 2.0 309.0 10.9 311.0 31.8 312.0 2.2 313.0 31.1 314.0 2.1 315.0 10.3 337.0 7.6 339.0 21.7 340.0 2.0 341.0 21.4 342.0 1.9 343.0 7.1 388.0 7.1 390.0 26.7 391.0 1.8 392.0 38.9 393.0 2.7 394.0 25.4 395.0 1.7 396.0 6.3 416.0 17.7 417.0 1.5 418.0 68.1 419.0 5.4 420.0 100.0 421.0 7.8 422.0 64.3 423.0 5.1 424.0 16.0 425.0 1.3 460.0 17.8 461.0 1.6 462.0 67.7 463.0 6.1 464.0 98.9 465.0 8.7 466.0 64.3 467.0 5.7 468.0 16.0 469.0 1.4
KBr disc
nujol mull
