3-HEPTYN-1-OL(14916-79-1) 1H NMR
Product Name3-HEPTYN-1-OL
CAS14916-79-1
Molecular FormulaC7H12O
Molecular Weight112.17
InChIInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-3,6-7H2,1H3
InChIKey PSWHODJVUOXHKA-UHFFFAOYSA-N
SmilesC(O)CC#CCCC
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MassMS-NW-2218 3-heptyn-1-ol C7H12O (Mass of molecular ion: 112)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 3.1 26.0 1.6 27.0 15.6 28.0 1.5 29.0 8.8 31.0 18.9 38.0 1.8 39.0 18.2 40.0 5.2 41.0 30.2 42.0 6.0 43.0 5.4 44.0 1.1 50.0 3.7 51.0 7.5 52.0 8.0 53.0 32.1 54.0 28.3 55.0 13.9 56.0 2.2 57.0 2.1 62.0 1.0 63.0 2.0 65.0 9.4 66.0 6.3 67.0 100.0 68.0 6.7 69.0 4.6 70.0 2.5 71.0 1.1 77.0 9.0 78.0 1.3 79.0 17.6 80.0 1.8 81.0 11.5 82.0 15.6 83.0 4.7 84.0 4.7 91.0 1.7 93.0 1.7 94.0 1.9 97.0 3.5 112.0 8.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H12 O 0.04 ml : 0.5 ml CDCl3 3-heptyn-1-ol 
Assign. Shift(ppm)
A 3.674 B 2.43 C 2.12 D 2.04 E 1.51 F 0.98
Hz ppm Int.335.81 3.750 290 329.44 3.679 655 323.31 3.610 377 226.38 2.528 96 224.06 2.502 175 221.88 2.478 100 221.50 2.474 97 220.19 2.459 139 217.81 2.433 343 215.56 2.407 228 214.25 2.393 63 213.63 2.386 58 211.56 2.363 125 209.25 2.337 114 201.94 2.255 60 201.25 2.248 68 199.81 2.232 74 198.88 2.221 78 197.63 2.207 44 196.13 2.190 49 195.06 2.178 118 194.25 2.169 166 192.75 2.153 154 192.00 2.144 263 190.81 2.131 72 189.56 2.117 116 188.19 2.102 93 187.38 2.093 97 185.81 2.075 156 185.13 2.068 181 182.81 2.042 433 147.50 1.647 52 146.19 1.633 128 141.81 1.584 31 140.06 1.564 114 139.44 1.557 211 138.38 1.546 137 133.19 1.488 113 132.63 1.481 157 132.19 1.476 147 131.56 1.469 197 126.44 1.412 64 125.19 1.398 139 118.94 1.329 40 118.31 1.322 41 94.75 1.058 234 93.88 1.049 406 93.06 1.040 254 87.19 0.974 1000 86.50 0.966 362 80.63 0.901 131 79.50 0.888 213 78.19 0.874 103
CCl4 solution
liquid film
