3-HEXYN-1-OL(1002-28-4) MS
Product Name3-HEXYN-1-OL
CAS1002-28-4
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3
InChIKey ODEHKVYXWLXRRR-UHFFFAOYSA-N
SmilesC(O)CC#CCC
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MassMS-NW-3225 3-hexyn-1-ol C6H10O (Mass of molecular ion: 98)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.4 18.0 1.3 26.0 2.1 27.0 12.7 28.0 2.2 29.0 6.8 31.0 27.6 37.0 2.0 38.0 3.8 39.0 30.0 40.0 17.3 41.0 50.3 42.0 12.0 43.0 8.0 44.0 1.8 50.0 5.2 51.0 9.0 52.0 6.8 53.0 45.3 54.0 3.5 55.0 7.8 56.0 2.2 57.0 2.6 61.0 1.3 62.0 2.4 63.0 4.0 65.0 14.0 66.0 6.3 67.0 63.1 68.0 100.0 69.0 8.7 70.0 1.8 77.0 5.5 79.0 13.6 80.0 6.0 81.0 1.2 83.0 8.6 97.0 1.1 98.0 13.2 99.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 O 0.04 ml : 0.5 ml CDCl3 3-hexyn-1-ol 
Assign. Shift(ppm)
A 3.666 B 2.46 C 2.42 D 2.18 E 1.128 J(C,D)=2.3HZ. J(A,B)=0.3HZ.
Hz ppm Int.335.25 3.744 228 328.56 3.669 646 322.31 3.599 288 225.00 2.513 87 222.69 2.487 152 220.50 2.463 254 220.13 2.458 259 218.75 2.443 194 216.38 2.417 283 214.06 2.391 174 212.75 2.376 47 211.94 2.367 48 209.94 2.345 106 207.69 2.320 119 206.88 2.310 48 206.00 2.301 39 201.63 2.252 49 200.88 2.243 134 198.56 2.218 134 196.50 2.195 59 195.81 2.187 48 194.31 2.170 60 193.63 2.163 91 193.25 2.158 88 192.06 2.145 87 191.06 2.134 173 189.63 2.118 46 188.69 2.107 104 186.81 2.086 39 185.81 2.075 39 184.38 2.059 55 183.63 2.051 61 181.88 2.031 32 181.31 2.025 31 108.38 1.211 217 107.88 1.205 364 100.75 1.125 1000 100.13 1.119 477 93.00 1.039 254 92.38 1.032 150
in CDCl3
liquid film
