TETRABROMOPHTHALIC ACID(13810-83-8) 13C NMR
Product NameTETRABROMOPHTHALIC ACID
CAS13810-83-8
Molecular FormulaC8H2Br4O4
Molecular Weight481.72
InChIInChI=1S/C8H2Br4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
InChIKey XIRDTMSOGDWMOX-UHFFFAOYSA-N
SmilesC1(C(O)=O)=C(Br)C(Br)=C(Br)C(Br)=C1C(O)=O
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MassMS-NW-0260 tetrabromophthalic acid C8H2Br4O4 (Mass of molecular ion: 478)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
17.0 3.2 18.0 15.1 28.0 1.7 36.0 12.6 44.0 1.4 48.0 2.7 60.0 7.7 72.0 36.0 73.0 3.9 75.5 1.5 76.5 1.3 79.0 4.5 80.0 1.4 81.0 4.3 82.0 1.5 89.5 3.7 90.5 3.4 91.0 2.6 93.0 2.5 100.0 1.4 115.0 12.7 116.0 16.1 116.5 1.3 117.0 12.5 127.0 1.4 129.0 2.2 130.0 1.5 131.0 1.6 139.0 2.7 141.0 2.7 151.0 31.4 152.0 3.1 153.0 30.8 154.0 3.2 154.5 3.4 155.5 10.1 156.5 9.9 157.0 1.1 157.5 3.3 179.0 4.6 181.0 4.5 194.0 2.7 195.0 9.1 196.0 14.0 196.5 1.0 197.0 9.1 198.0 2.4 208.0 1.9 209.0 3.0 210.0 5.0 211.0 3.0 230.0 23.3 231.0 2.8 232.0 46.4 233.0 4.6 234.0 22.5 235.0 1.9 309.0 7.4 311.0 21.6 312.0 2.3 313.0 21.6 314.0 2.3 315.0 7.3 337.0 5.7 338.0 1.1 339.0 16.8 340.0 3.2 341.0 16.7 342.0 3.2 343.0 5.6 344.0 1.1 384.0 2.0 386.0 1.9 388.0 6.1 390.0 21.6 391.0 1.6 392.0 31.7 393.0 2.2 394.0 20.2 395.0 1.4 396.0 5.2 416.0 14.7 417.0 1.3 418.0 57.6 419.0 4.7 420.0 84.3 421.0 7.0 422.0 55.1 423.0 4.6 424.0 13.7 425.0 1.1 460.0 17.5 461.0 1.6 462.0 68.2 463.0 6.3 464.0 100.0 465.0 9.0 466.0 65.0 467.0 6.0 468.0 16.5 469.0 1.5
in DMSO-d6
KBr disc
nujol mull
