6-DODECYNE(6975-99-1) Raman
Product Name6-DODECYNE
CAS6975-99-1
Molecular FormulaC12H22
Molecular Weight166.3
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3
InChIKey IHPFQAOOSAGSPN-UHFFFAOYSA-N
SmilesCCCCCC#CCCCCC
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MassMS-NW-2200 6-dodecyne C12H22 (Mass of molecular ion: 166)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.3 27.0 18.5 28.0 1.5 29.0 30.6 39.0 16.1 40.0 3.3 41.0 49.7 42.0 5.7 43.0 14.1 50.0 1.2 51.0 4.3 52.0 6.3 53.0 14.6 54.0 87.8 55.0 53.6 56.0 8.1 57.0 9.6 63.0 1.3 65.0 5.9 66.0 4.0 67.0 100.0 68.0 34.1 69.0 30.8 70.0 3.1 77.0 6.2 78.0 1.4 79.0 10.6 80.0 4.9 81.0 84.4 82.0 42.0 83.0 7.8 91.0 2.8 93.0 3.8 94.0 2.7 95.0 77.9 96.0 21.0 97.0 3.0 107.0 1.1 109.0 23.6 110.0 10.3 111.0 1.7 123.0 5.4 124.0 2.1 137.0 6.3 138.0 1.3 151.0 1.2 166.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H22 0.04 ml : 0.5 ml CDCl3 6-dodecyne 
Assign. Shift(ppm)
A 2.13 B 1.74 to 1.06 C 0.90
Hz ppm Int.201.44 2.250 37 196.13 2.190 138 195.56 2.184 135 191.44 2.138 457 186.44 2.082 169 186.06 2.078 169 185.00 2.066 193 182.69 2.040 76 148.13 1.654 30 147.50 1.647 33 147.19 1.644 37 145.88 1.629 46 145.31 1.623 44 144.88 1.618 47 144.44 1.613 44 141.81 1.584 75 141.31 1.578 78 139.63 1.560 121 138.50 1.547 117 137.00 1.530 124 136.63 1.526 124 132.69 1.482 259 130.75 1.460 226 128.31 1.433 376 123.88 1.384 809 121.81 1.361 612 119.38 1.333 383 118.25 1.321 337 114.81 1.282 261 110.06 1.229 128 106.88 1.194 72 106.50 1.190 71 104.75 1.170 42 104.19 1.164 41 103.88 1.160 37 103.44 1.155 35 102.88 1.149 36 102.31 1.143 40 101.94 1.139 37 101.25 1.131 35 100.50 1.123 30 100.00 1.117 32 99.38 1.110 31 98.81 1.104 33 98.00 1.095 30 96.25 1.075 31 94.44 1.055 32 93.06 1.040 35 92.63 1.035 39 92.19 1.030 37 91.63 1.024 42 87.63 0.979 249 86.81 0.970 293 84.06 0.939 225 82.94 0.927 241 80.44 0.899 1000 76.13 0.851 152 74.50 0.832 192 73.25 0.818 125 71.00 0.793 71 70.44 0.787 65
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
