N-TRITRIACONTANE(630-05-7) MS
Product NameN-TRITRIACONTANE
CAS630-05-7
Molecular FormulaC33H68
Molecular Weight464.89
InChIInChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChIKey SUJUOAZFECLBOA-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
-
MassMS-NW-7070 tritriacontane C33H68 (Mass of molecular ion: 464)
Source Temperature: 240 °C Sample Temperature: 150 °C Direct, 75 eV
27.0 2.3 29.0 8.7 39.0 1.6 41.0 20.8 42.0 5.7 43.0 67.3 44.0 2.4 54.0 2.5 55.0 24.8 56.0 13.3 57.0 100.0 58.0 4.6 67.0 3.1 68.0 3.4 69.0 18.8 70.0 11.1 71.0 71.5 72.0 4.2 81.0 1.9 82.0 4.6 83.0 17.1 84.0 8.1 85.0 52.9 86.0 3.7 95.0 1.0 96.0 3.1 97.0 15.0 98.0 6.2 99.0 21.4 100.0 1.7 110.0 1.7 111.0 8.1 112.0 5.5 113.0 16.5 114.0 1.5 124.0 1.1 125.0 4.8 126.0 4.9 127.0 13.0 128.0 1.4 139.0 2.6 140.0 4.4 141.0 10.8 142.0 1.3 153.0 1.7 154.0 4.0 155.0 9.3 156.0 1.2 167.0 1.2 168.0 3.7 169.0 8.0 170.0 1.1 182.0 3.3 183.0 7.1 184.0 1.0 196.0 3.0 197.0 6.3 198.0 1.0 210.0 2.7 211.0 5.7 224.0 2.5 225.0 5.5 238.0 2.2 239.0 4.9 252.0 2.0 253.0 4.4 266.0 1.8 267.0 4.1 280.0 1.6 281.0 3.8 294.0 1.6 295.0 3.6 308.0 1.4 309.0 3.5 322.0 1.4 323.0 3.4 336.0 1.2 337.0 3.2 350.0 1.1 351.0 3.1 364.0 1.0 365.0 2.9 379.0 2.8 393.0 2.7 407.0 2.3 421.0 1.4 435.0 1.0 464.0 5.2 465.0 1.9
90 MHz in CDCl3
-
1H NMR 89.56 MHz C33 H68 0.038 g : 0.5 ml CDCl3 tritriacontane 
Assign. Shift(ppm)
A 1.26 B 0.88
Hz ppm Int.112.44 1.256 1000 78.69 0.879 40
in CDCl3
KBr disc
nujol mull
