Tetrabromo-2-sulfobenzoic acid cyclic anhydride(68460-01-5) 13C NMR
Product NameTetrabromo-2-sulfobenzoic acid cyclic anhydride
CAS68460-01-5
Molecular FormulaC7Br4O4S
Molecular Weight499.75
InChIInChI=1S/C7Br4O4S/c8-2-1-6(5(11)4(10)3(2)9)16(13,14)15-7(1)12
InChIKey QPGYGIVRJIICGZ-UHFFFAOYSA-N
SmilesS1(=O)(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C2C(=O)O1
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MassMS-NW-2469 tetrabromo-2-sulfobenzoic acid cyclic anhydride C7Br4O4S (Mass of molecular ion: 496)
Source Temperature: 240 °C Sample Temperature: 140 °C Direct, 75 eV
12.0 1.4 17.0 3.5 18.0 17.2 24.0 1.2 28.0 8.5 32.0 2.8 36.0 34.4 37.0 1.1 44.0 6.9 48.0 13.0 52.0 2.1 56.0 1.7 60.0 30.6 61.0 1.8 64.0 7.1 68.0 5.4 72.0 99.9 73.0 7.1 75.5 1.3 76.5 1.2 79.0 9.8 80.0 3.5 81.0 9.8 82.0 2.9 83.5 1.8 84.5 1.7 88.0 1.2 89.5 4.1 90.5 3.6 91.0 6.8 91.5 1.6 92.0 7.2 92.5 1.4 93.0 6.5 100.0 1.5 103.0 1.4 104.0 5.3 105.0 1.4 109.0 2.1 110.0 3.4 111.0 1.9 115.0 29.6 115.5 1.2 116.0 33.4 116.5 2.1 117.0 28.9 117.5 1.1 120.0 1.1 123.0 2.5 124.0 3.8 125.0 2.6 127.0 3.5 129.0 4.2 130.0 1.7 131.0 2.8 133.0 2.0 139.0 17.6 140.0 1.1 141.0 16.9 142.0 1.0 149.5 1.2 150.5 1.2 151.0 79.0 152.0 5.4 153.0 78.8 154.0 5.5 154.5 5.9 155.0 1.3 155.5 17.1 156.0 1.2 156.5 15.5 157.0 1.9 157.5 5.4 158.0 1.2 160.0 1.8 167.0 2.2 169.0 2.0 171.0 3.5 173.0 3.7 177.5 1.1 178.5 1.1 179.0 6.0 181.0 5.6 183.0 1.4 184.0 1.3 185.0 1.3 189.0 1.5 190.0 2.1 191.0 1.3 194.0 2.2 195.0 6.0 196.0 9.7 197.0 5.5 198.0 2.2 202.0 2.7 203.0 9.7 204.0 14.4 204.5 1.0 205.0 9.0 206.0 4.2 208.0 3.6 210.0 1.9 217.0 2.1 218.0 7.6 219.0 2.3 220.0 9.4 222.0 4.4 230.0 52.0 231.0 3.6 232.0 100.0 233.0 6.7 234.0 48.1 235.0 3.3 246.0 1.5 248.0 2.8 250.0 1.4 297.0 1.1 299.0 3.0 301.0 3.0 309.0 7.8 311.0 22.3 312.0 1.5 313.0 20.6 314.0 1.4 315.0 7.1 327.0 1.0 329.0 1.0 337.0 3.1 339.0 9.1 341.0 9.0 343.0 2.8 355.0 1.7 357.0 1.6 388.0 2.4 390.0 8.2 392.0 12.0 394.0 7.4 396.0 2.0 406.0 2.0 408.0 2.8 410.0 1.8 416.0 2.6 418.0 8.8 420.0 13.9 421.0 1.1 422.0 8.3 424.0 2.2 432.0 3.3 434.0 11.6 435.0 1.1 436.0 16.7 437.0 1.4 438.0 11.0 440.0 2.7 496.0 3.4 498.0 11.5 499.0 1.3 500.0 17.1 501.0 1.5 502.0 12.0 503.0 1.1 504.0 3.1
D2O
in DMSO-d6
