N-Tetracontane(4181-95-7) IR1
Product NameN-Tetracontane
CAS4181-95-7
Molecular FormulaC40H82
Molecular Weight563.08
InChIInChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
InChIKey KUPLEGDPSCCPJI-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
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MassMS-NW-2055 tetracontane C40H82 (Mass of molecular ion: 562)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 1.9 18.0 10.4 27.0 2.2 28.0 2.1 29.0 6.7 39.0 1.6 41.0 14.8 42.0 4.7 43.0 53.3 44.0 1.7 54.0 2.4 55.0 21.5 56.0 12.9 57.0 100.0 58.0 4.6 67.0 3.2 68.0 4.6 69.0 17.9 70.0 11.7 71.0 71.0 72.0 4.2 81.0 2.4 82.0 7.0 83.0 19.3 84.0 9.2 85.0 50.8 86.0 3.6 95.0 1.4 96.0 4.7 97.0 18.8 98.0 7.4 99.0 22.7 100.0 1.7 110.0 2.3 111.0 10.7 112.0 6.8 113.0 17.0 114.0 1.6 124.0 1.8 125.0 6.5 126.0 6.1 127.0 13.9 128.0 1.4 138.0 1.3 139.0 3.4 140.0 5.7 141.0 11.2 142.0 1.3 152.0 1.0 153.0 2.6 154.0 5.2 155.0 9.9 156.0 1.2 167.0 1.9 168.0 4.9 169.0 8.6 170.0 1.1 181.0 1.5 182.0 4.3 183.0 7.7 184.0 1.0 195.0 1.1 196.0 4.0 197.0 6.9 198.0 1.1 210.0 4.0 211.0 6.2 224.0 3.5 225.0 5.4 238.0 3.1 239.0 4.7 252.0 2.8 253.0 4.9 254.0 1.0 266.0 2.5 267.0 4.2 280.0 2.8 281.0 5.3 282.0 1.1 294.0 2.2 295.0 3.9 308.0 2.0 309.0 3.4 322.0 1.8 323.0 3.3 336.0 1.6 337.0 3.3 350.0 1.6 351.0 3.0 364.0 1.4 365.0 2.7 378.0 1.3 379.0 2.7 392.0 1.2 393.0 2.6 406.0 1.0 407.0 2.4 421.0 2.4 435.0 2.2 449.0 2.1 463.0 2.0 477.0 1.7 491.0 1.7 505.0 1.6 562.0 4.3 563.0 2.0
KBr disc
nujol mull
