TRI-N-HEPTYLAMINE(2411-36-1) MS
Product NameTRI-N-HEPTYLAMINE
CAS2411-36-1
Molecular FormulaC21H45N
Molecular Weight311.59
InChIInChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKey CLZGJKHEVKJLLS-UHFFFAOYSA-N
SmilesC(N(CCCCCCC)CCCCCCC)CCCCCC
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MassMS-IW-3869 triheptylamine C21H45N (Mass of molecular ion: 311)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
29.0 3.3 30.0 2.2 41.0 6.0 42.0 2.4 43.0 8.1 44.0 5.5 55.0 5.0 56.0 1.5 57.0 8.8 58.0 4.9 69.0 1.0 70.0 1.6 84.0 2.4 98.0 4.4 112.0 3.1 126.0 1.0 128.0 2.5 140.0 3.3 142.0 12.6 143.0 1.3 212.0 1.2 224.0 2.3 226.0 100.0 227.0 17.0 228.0 1.3 252.0 1.5 310.0 1.6 311.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H45 N 0.05 ml : 0.5 ml CDCl3 triheptylamine 
Assign. Shift(ppm)
A 2.375 B 1.28 C 1.42 D 0.881
Hz ppm Int.957.15 2.395 337 949.58 2.377 337 947.63 2.372 243 941.89 2.357 365 581.30 1.455 64 573.36 1.435 149 566.53 1.418 207 563.96 1.412 174 559.33 1.400 167 552.49 1.383 76 536.13 1.342 39 528.81 1.324 117 520.75 1.304 267 511.11 1.279 1000 359.50 0.900 343 352.78 0.883 931 345.58 0.865 431 335.82 0.841 26
in CDCl3
liquid film
