trans-2-Hexenyl acetate(2497-18-9) Raman
Product Nametrans-2-Hexenyl acetate
CAS2497-18-9
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKey HRHOWZHRCRZVCU-AATRIKPKSA-N
SmilesC(OC(=O)C)/C=C/CCC
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MassMS-NW-1095 trans-2-hexenyl acetate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 4.6 18.0 1.1 27.0 11.1 28.0 1.8 29.0 7.2 31.0 1.5 39.0 11.5 40.0 1.9 41.0 23.0 42.0 4.0 43.0 100.0 44.0 4.8 45.0 1.0 51.0 1.2 53.0 4.6 54.0 7.9 55.0 14.3 56.0 7.9 57.0 20.0 58.0 2.5 61.0 2.9 67.0 29.7 68.0 1.9 69.0 1.6 71.0 6.5 72.0 2.7 81.0 3.6 82.0 24.2 83.0 4.4 99.0 3.9 100.0 11.7 113.0 1.1 142.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O2 0.04 ml : 0.5 ml CDCl3 trans-2-hexenyl acetate 
Assign. Shift(ppm)
A 5.97 to 5.37 B 4.508 C 2.057 D 2.03 E 1.40 F 0.91
Hz ppm Int.511.88 5.716 86 508.69 5.680 49 507.56 5.668 52 506.44 5.655 46 503.38 5.621 78 497.75 5.558 31 406.38 4.538 100 405.63 4.530 59 401.19 4.480 109 185.56 2.072 97 184.25 2.058 1000 183.00 2.044 103 180.25 2.013 50 178.69 1.996 69 173.25 1.935 30 137.31 1.534 41 130.38 1.456 45 129.56 1.447 40 129.00 1.441 36 123.81 1.383 41 122.44 1.368 63 115.50 1.290 48 88.56 0.989 72 87.69 0.980 130 86.94 0.971 92 81.00 0.905 233 74.44 0.832 39 73.25 0.818 67 71.94 0.804 34
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
