1,2-Epoxyoctane(2984-50-1) 13C NMR
Product Name1,2-Epoxyoctane
CAS2984-50-1
Molecular FormulaC8H16O
Molecular Weight128.21
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3
InChIKey NJWSNNWLBMSXQR-UHFFFAOYSA-N
SmilesO1CC1CCCCCC
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MassMS-NW-4282 1,2-epoxyoctane C8H16O (Mass of molecular ion: 128)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.6 26.0 1.5 27.0 24.6 28.0 5.5 29.0 36.4 30.0 1.2 31.0 11.6 39.0 17.9 40.0 3.6 41.0 69.1 42.0 40.8 43.0 32.1 44.0 4.4 45.0 7.9 51.0 1.1 53.0 4.6 54.0 10.8 55.0 55.3 56.0 37.1 57.0 15.7 58.0 45.6 59.0 5.4 67.0 12.4 68.0 21.6 69.0 25.5 70.0 23.5 71.0 100.0 72.0 7.0 81.0 19.8 82.0 4.0 83.0 2.9 84.0 1.1 85.0 14.2 86.0 2.2 95.0 2.5 96.0 4.9 97.0 1.7 99.0 5.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O 0.04 ml : 0.5 ml CDCl3 1,2-epoxyoctane 
Assign. Shift(ppm)
A 2.91 B 2.74 C 2.47 D *1 1.53 E *1 1.46 F 1.31 G 0.91
Hz ppm Int.261.06 2.915 173 259.75 2.901 189 257.00 2.870 182 250.19 2.794 421 248.81 2.779 59 246.25 2.750 261 245.13 2.738 621 241.13 2.693 388 224.00 2.502 582 221.25 2.471 535 218.94 2.445 391 217.75 2.432 54 216.19 2.414 380 132.13 1.476 661 118.38 1.322 938 82.69 0.924 279 79.63 0.890 1000 73.31 0.819 203
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
