Solvent Black 3(4197-25-5) IR1
Product NameSolvent Black 3
CAS4197-25-5
Molecular FormulaC29H24N6
Molecular Weight456.54
InChIInChI=1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3
InChIKey YCUVUDODLRLVIC-UHFFFAOYSA-N
SmilesN1C2C3C(C=CC=2)=C(N=NC2=C4C(C=CC=C4)=C(N=NC4=CC=CC=C4)C=C2)C=CC=3NC1(C)C
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MassMS-NW-6645 sudan black B C29H24N6 (Mass of molecular ion: 456)
Source Temperature: 250 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 1.2 18.0 2.5 27.0 2.4 28.0 12.1 38.0 1.9 39.0 7.9 40.0 1.3 41.0 2.8 42.0 3.4 50.0 4.2 51.0 12.5 52.0 4.4 53.0 1.0 54.0 1.2 62.0 2.2 63.0 5.6 64.0 2.7 65.0 6.2 66.0 5.6 74.0 2.6 75.0 4.6 76.0 4.4 77.0 30.8 78.0 5.6 79.0 1.2 84.5 2.7 85.0 1.2 87.0 1.8 88.0 2.8 89.0 5.5 90.0 1.8 90.5 1.0 91.0 3.1 91.5 1.3 92.0 2.9 93.0 16.0 94.0 1.3 97.5 1.1 98.0 2.0 98.5 2.7 99.0 3.7 100.0 2.1 101.0 4.3 102.0 4.3 103.0 3.2 104.0 1.4 105.0 2.3 106.0 1.7 107.0 1.3 113.0 4.8 114.0 8.0 115.0 35.8 116.0 13.4 117.0 2.3 123.5 1.8 126.0 4.8 127.0 10.0 128.0 7.0 129.0 3.5 130.0 3.9 131.0 1.2 139.0 2.3 140.0 14.1 141.0 6.7 142.0 100.0 143.0 14.0 144.0 1.6 152.0 1.6 153.0 3.1 154.0 5.0 155.0 6.9 156.0 4.2 157.0 4.1 158.0 2.5 165.0 1.2 166.0 1.6 167.0 3.1 168.0 5.8 169.0 7.1 170.0 9.9 171.0 1.6 179.0 1.1 180.0 4.3 181.0 12.7 182.0 29.0 183.0 10.5 184.0 1.7 189.0 1.4 191.0 1.0 194.0 5.2 195.0 13.1 196.0 52.4 197.0 28.0 198.0 24.1 199.0 3.8 201.0 1.0 202.0 2.2 203.0 1.4 204.0 1.1 206.0 1.0 207.0 1.2 208.0 1.3 209.0 1.2 210.0 3.6 211.0 4.9 212.0 1.9 213.0 12.3 214.0 2.6 216.0 1.4 217.0 3.5 218.0 4.1 219.0 3.7 219.5 1.1 220.0 1.9 221.0 1.0 228.0 1.7 231.0 3.2 232.0 3.8 233.0 1.9 234.0 7.6 235.0 1.7 236.0 1.0 238.0 3.2 239.0 1.4 244.0 1.2 245.0 2.5 246.0 10.0 247.0 53.0 248.0 10.7 249.0 1.4 253.0 2.0 261.0 1.0 264.0 1.1 265.0 1.2 266.0 1.8 267.0 1.5 272.0 1.0 279.0 1.0 293.0 1.0 294.0 1.0 295.0 1.1 305.0 1.2 306.0 3.0 307.0 5.3 308.0 6.7 309.0 2.4 310.0 1.4 319.0 1.0 320.0 2.5 321.0 2.9 322.0 2.1 323.0 2.8 324.0 2.0 333.0 1.3 334.0 2.4 335.0 3.3 336.0 5.4 337.0 4.7 338.0 1.3 348.0 1.0 349.0 2.4 350.0 2.2 351.0 3.6 352.0 7.5 353.0 2.0 365.0 1.8 366.0 1.1 367.0 7.2 368.0 2.0 374.0 1.0 392.0 1.0 400.0 1.3 411.0 1.2 412.0 2.7 413.0 17.1 414.0 6.0 415.0 2.1 426.0 1.3 427.0 2.3 428.0 10.9 429.0 4.0 430.0 1.7 439.0 1.9 440.0 3.3 441.0 23.2 442.0 8.0 443.0 2.1 454.0 2.1 455.0 2.8 456.0 37.0 457.0 12.9 458.0 2.5
KBr disc
nujol mull
