trans-2-Hexen-1-ol(928-95-0) IR1
Product Nametrans-2-Hexen-1-ol
CAS928-95-0
Molecular FormulaC6H12O
Molecular Weight100.16
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
InChIKey ZCHHRLHTBGRGOT-SNAWJCMRSA-N
SmilesC(O)/C=C/CCC
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MassMS-NW-1249 trans-2-hexen-1-ol C6H12O (Mass of molecular ion: 100)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.3 18.0 1.5 26.0 1.5 27.0 20.6 28.0 2.3 29.0 16.0 30.0 1.0 31.0 9.7 38.0 1.4 39.0 14.5 40.0 2.8 41.0 43.3 42.0 9.1 43.0 15.0 44.0 18.3 45.0 3.6 51.0 1.8 53.0 4.8 54.0 4.9 55.0 11.2 56.0 13.6 57.0 100.0 58.0 6.7 59.0 1.5 67.0 15.0 68.0 1.2 69.0 4.9 70.0 1.3 71.0 10.2 72.0 4.6 81.0 1.6 82.0 20.6 83.0 2.2 100.0 2.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O 0.06 ml : 0.5 ml CDCl3 trans-2-hexen-1-ol 
Assign. Shift(ppm)
A *1 5.67 B *1 5.63 C 4.07 D 1.99 E 1.94 F 1.40 G 0.91
Hz ppm Int.511.94 5.717 204 509.06 5.685 262 508.19 5.675 129 506.94 5.661 503 506.44 5.655 458 504.19 5.630 278 502.19 5.608 259 486.94 5.438 35 368.13 4.111 237 367.13 4.100 422 366.56 4.093 276 366.13 4.089 272 364.94 4.075 276 363.06 4.054 382 362.50 4.048 436 361.50 4.037 210 191.13 2.135 93 190.06 2.123 51 187.94 2.099 79 187.50 2.094 77 186.81 2.086 74 185.38 2.070 132 184.44 2.060 184 181.81 2.031 138 180.25 2.013 145 179.13 2.001 144 177.50 1.982 158 175.94 1.965 173 173.38 1.936 700 144.56 1.615 47 144.00 1.608 48 139.25 1.555 31 137.94 1.541 78 136.63 1.526 191 135.25 1.511 46 133.25 1.488 32 131.06 1.464 121 129.88 1.451 188 128.88 1.440 166 128.25 1.433 138 126.44 1.412 38 125.56 1.402 44 124.44 1.390 108 123.25 1.377 177 121.75 1.360 297 119.63 1.336 46 118.44 1.323 52 117.13 1.308 78 114.94 1.284 205 109.00 1.218 59 108.31 1.210 61 88.69 0.991 334 87.81 0.981 567 87.00 0.972 381 84.25 0.941 41 81.19 0.907 1000 76.06 0.850 30 74.69 0.834 165 73.44 0.821 277 72.06 0.805 139
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
