CIS-2-HEXEN-1-OL(928-94-9) IR1
Product NameCIS-2-HEXEN-1-OL
CAS928-94-9
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-PLNGDYQASA-N
SmilesC(O)/C=C\CCC
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MassMS-NW-9936 cis-2-hexen-1-ol C6H12O (Mass of molecular ion: 100)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.2 27.0 16.6 28.0 3.5 29.0 18.0 30.0 1.1 31.0 8.5 38.0 1.3 39.0 15.4 40.0 3.0 41.0 44.3 42.0 8.5 43.0 14.5 44.0 19.0 45.0 4.6 50.0 1.2 51.0 2.1 53.0 5.7 54.0 6.9 55.0 12.5 56.0 13.1 57.0 100.0 58.0 7.3 59.0 4.1 65.0 1.3 67.0 30.3 68.0 2.3 69.0 5.3 70.0 1.6 71.0 11.2 72.0 5.2 73.0 1.1 79.0 1.0 81.0 2.8 82.0 32.7 83.0 4.2 100.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O 0.05 ml : 0.5 ml CDCl3 cis-2-hexen-1-ol 
Assign. Shift(ppm)
A 5.586 B 5.513 C 4.167 D 2.88 E 2.044 F 1.388 G 0.904
Hz ppm Int.2247.92 5.625 30 2246.46 5.622 51 2245.00 5.618 30 2241.21 5.608 56 2239.87 5.605 95 2238.65 5.602 52 2236.94 5.598 49 2235.47 5.594 90 2234.01 5.590 65 2233.52 5.589 62 2232.67 5.587 32 2230.35 5.581 91 2228.88 5.578 174 2227.66 5.575 110 2223.75 5.565 54 2222.53 5.562 102 2221.56 5.559 69 2214.84 5.542 60 2214.11 5.541 93 2212.89 5.538 52 2208.01 5.525 92 2206.91 5.523 156 2205.57 5.519 86 2203.13 5.513 44 2201.90 5.510 33 2200.93 5.508 48 2199.58 5.504 78 2198.24 5.501 46 2197.14 5.498 46 2195.92 5.495 85 2194.70 5.492 50 2188.60 5.477 46 1669.56 4.178 353 1669.07 4.177 360 1668.33 4.175 366 1667.72 4.173 238 1663.82 4.164 195 1663.09 4.162 353 1662.60 4.161 312 1661.87 4.159 359 1661.13 4.157 229 1150.02 2.878 228 828.74 2.074 56 828.00 2.072 87 826.78 2.069 93 820.80 2.054 202 819.58 2.051 232 812.13 2.033 239 806.03 2.017 86 805.30 2.016 90 804.81 2.014 102 573.24 1.435 59 565.80 1.416 204 558.35 1.398 330 551.03 1.379 327 543.70 1.361 201 536.50 1.343 57 373.66 0.935 32 368.53 0.923 594 365.36 0.915 45 361.08 0.904 1000 356.32 0.892 38 353.76 0.886 530
in CDCl3
liquid film
4880 A,200 M,liquid
