1-HEPTENE(592-76-7) MS
Molecular FormulaC7H14
Molecular Weight98.19
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
InChIKey ZGEGCLOFRBLKSE-UHFFFAOYSA-N
SmilesC=CCCCCC
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MassMS-NW-0972 1-heptene C7H14 (Mass of molecular ion: 98)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.1 18.0 1.2 26.0 2.0 27.0 25.7 28.0 4.9 29.0 55.9 30.0 1.2 38.0 1.8 39.0 30.5 40.0 4.9 41.0 96.8 42.0 54.9 43.0 15.9 50.0 1.5 51.0 2.3 52.0 1.0 53.0 6.5 54.0 7.6 55.0 67.6 56.0 100.0 57.0 30.7 58.0 1.3 67.0 2.3 68.0 3.6 69.0 31.1 70.0 44.2 71.0 2.5 83.0 4.2 98.0 13.8 99.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 0.04 ml : 0.5 ml CDCl3 1-heptene 
Assign. Shift(ppm)
A 5.80 B 4.93 C 4.91 D 2.05 E 1.60 to 1.09 F 0.90
Hz ppm Int.535.25 5.977 109 525.38 5.867 154 518.13 5.786 186 514.69 5.747 105 511.63 5.713 97 508.25 5.675 213 501.81 5.604 117 457.31 5.107 85 455.75 5.089 190 454.81 5.079 216 454.31 5.073 207 453.44 5.063 326 451.94 5.047 177 447.69 4.999 162 446.56 4.987 303 445.31 4.973 247 444.19 4.960 178 443.06 4.948 99 437.63 4.887 238 436.25 4.872 409 435.38 4.862 288 433.06 4.836 65 186.00 2.077 226 179.56 2.005 270 173.38 1.936 122 115.31 1.288 1000 85.13 0.951 306 79.63 0.890 914 72.88 0.814 206
in CDCl3
liquid film
4880 A,200 M,liquid
