N-HEPTATRIACONTANE(7194-84-5) IR1
Product NameN-HEPTATRIACONTANE
CAS7194-84-5
Molecular FormulaC37H76
Molecular Weight521
InChIInChI=1S/C37H76/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
InChIKey PXEZIKSRSYGOED-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
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MassMS-IW-9339 heptatriacontane C37H76 (Mass of molecular ion: 520)
Source Temperature: 190 °C Sample Temperature: 180 °C Direct, 75 eV
29.0 4.6 41.0 11.6 42.0 3.4 43.0 53.8 44.0 1.6 54.0 1.7 55.0 19.7 56.0 11.1 57.0 100.0 58.0 4.4 67.0 2.3 68.0 3.0 69.0 16.0 70.0 10.2 71.0 71.1 72.0 3.8 81.0 1.6 82.0 4.2 83.0 15.5 84.0 6.7 85.0 48.7 86.0 3.2 96.0 2.9 97.0 13.6 98.0 5.1 99.0 20.1 100.0 1.6 110.0 1.5 111.0 7.1 112.0 4.4 113.0 14.7 114.0 1.2 124.0 1.1 125.0 4.3 126.0 3.8 127.0 11.0 128.0 1.0 139.0 2.4 140.0 3.3 141.0 8.8 153.0 1.8 154.0 2.9 155.0 7.0 167.0 1.2 168.0 2.6 169.0 6.2 182.0 2.2 183.0 5.2 196.0 2.2 197.0 4.2 210.0 1.8 211.0 3.9 224.0 1.5 225.0 3.3 238.0 1.3 239.0 2.7 252.0 1.2 253.0 2.6 266.0 1.0 267.0 2.1 281.0 1.8 295.0 1.6 309.0 1.3 323.0 1.2 337.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C37 H76 0.036 g : 0.5 ml CDCl3 at 60 C heptatriacontane 
Assign. Shift(ppm)
A 1.265 B 0.882
Hz ppm Int.505.74 1.266 1000 352.42 0.882 50
in CDCl3
KBr disc
nujol mull
