6-CHLORO-1-HEXYNE(10297-06-0) 1H NMR
Product Name6-CHLORO-1-HEXYNE
CAS10297-06-0
Molecular FormulaC6H9Cl
Molecular Weight116.59
InChIInChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h1H,3-6H2
InChIKey ZUKOCGMVJUXIJA-UHFFFAOYSA-N
SmilesC#CCCCCCl
-
MassMS-IW-9311 6-chloro-1-hexyne C6H9Cl (Mass of molecular ion: 116)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 5.0 27.0 38.6 28.0 5.9 29.0 3.6 36.0 4.4 37.0 4.2 38.0 10.3 39.0 71.1 40.0 33.9 41.0 99.8 42.0 5.5 49.0 12.8 50.0 12.1 51.0 20.9 52.0 28.5 53.0 44.3 54.0 56.6 55.0 9.1 61.0 2.3 62.0 3.3 63.0 5.1 64.0 1.1 65.0 21.5 66.0 3.8 67.0 42.1 68.0 8.2 73.0 1.3 74.0 2.4 75.0 10.4 76.0 3.2 77.0 17.6 78.0 5.0 79.0 59.1 80.0 8.1 81.0 74.4 82.0 4.8 88.0 100.0 89.0 4.8 90.0 32.3 91.0 5.6 101.0 4.3 103.0 1.7 105.0 1.6 115.0 1.7
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H9 Cl 0.05 ml : 0.5 ml CDCl3 6-chloro-1-hexyne 
Assign. Shift(ppm)
A 3.572 B 2.242 C 1.981 D 1.908 E 1.684
Hz ppm Int.1434.20 3.589 605 1427.61 3.573 1000 1421.02 3.556 597 904.66 2.264 305 901.98 2.257 313 897.71 2.247 586 895.02 2.240 597 890.63 2.229 338 888.06 2.223 353 794.31 1.988 431 791.63 1.981 723 788.94 1.975 386 776.37 1.943 133 769.90 1.927 263 769.29 1.925 280 766.60 1.919 106 762.70 1.909 324 761.23 1.905 223 760.13 1.902 200 754.52 1.888 337 748.05 1.872 165 687.87 1.722 136 687.38 1.720 137 680.54 1.703 328 675.05 1.690 165 672.73 1.684 364 667.97 1.672 94 665.53 1.666 294 658.94 1.649 105 658.20 1.647 99
in CDCl3
liquid film
