Leaf alcohol(928-96-1) IR1
Product NameLeaf alcohol
CAS928-96-1
Molecular FormulaC6H12O
Molecular Weight100.16
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKey UFLHIIWVXFIJGU-ARJAWSKDSA-N
SmilesC(O)C/C=C\CC
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MassMS-NW-1250 cis-3-hexen-1-ol C6H12O (Mass of molecular ion: 100)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.5 18.0 1.2 26.0 1.7 27.0 18.4 28.0 2.6 29.0 14.8 31.0 22.6 38.0 1.9 39.0 22.0 40.0 4.2 41.0 100.0 42.0 25.9 43.0 6.4 44.0 8.2 45.0 2.6 50.0 1.5 51.0 2.4 52.0 1.1 53.0 9.3 54.0 11.2 55.0 39.4 56.0 9.0 57.0 16.7 58.0 1.9 65.0 1.7 66.0 1.0 67.0 73.0 68.0 7.2 69.0 26.1 70.0 10.8 71.0 2.5 72.0 3.6 81.0 5.9 82.0 46.5 83.0 3.3 100.0 2.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O 0.04 ml : 0.5 ml CDCl3 cis-3-hexen-1-ol 
Assign. Shift(ppm)
A *1 5.54 B *1 5.36 C 3.626 D 2.32 E 2.07 F 1.96 G 0.98
Hz ppm Int.510.88 5.705 32 505.06 5.640 37 504.00 5.628 60 501.38 5.599 39 500.00 5.583 71 498.88 5.571 48 497.81 5.559 36 494.25 5.519 76 493.13 5.507 165 488.38 5.454 117 487.63 5.445 222 486.94 5.438 128 486.81 5.436 128 481.94 5.382 155 480.81 5.369 78 476.13 5.317 44 474.94 5.304 70 473.63 5.289 36 471.13 5.261 56 470.00 5.248 34 464.13 5.183 35 331.63 3.703 297 325.06 3.630 634 318.56 3.557 364 218.69 2.442 57 217.75 2.432 98 215.75 2.410 31 211.56 2.363 229 211.00 2.356 271 205.06 2.290 230 204.50 2.284 241 202.31 2.259 47 201.75 2.253 42 201.00 2.245 55 198.06 2.212 87 194.19 2.169 124 193.56 2.162 139 186.31 2.081 258 181.25 2.024 61 179.69 2.007 160 179.13 2.001 179 177.88 1.987 108 175.31 1.958 446 172.94 1.931 77 172.19 1.923 84 171.06 1.911 46 94.44 1.055 491 87.19 0.974 1000 79.50 0.888 376 78.88 0.881 222
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
