1-CHLORO-2-PENTYNE(22592-15-0) MS
Product Name1-CHLORO-2-PENTYNE
CAS22592-15-0
Molecular FormulaC5H7Cl
Molecular Weight102.56
InChIInChI=1S/C5H7Cl/c1-2-3-4-5-6/h2,5H2,1H3
InChIKey JBKXDMAPOZZDCE-UHFFFAOYSA-N
SmilesC(Cl)C#CCC
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MassMS-IW-4191 1-chloro-2-pentyne C5H7Cl (Mass of molecular ion: 102)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.3 27.0 9.6 29.0 1.8 31.0 2.0 36.0 2.0 37.0 2.5 38.0 5.1 39.0 38.9 40.0 10.3 41.0 69.7 42.0 3.4 43.0 1.4 49.0 2.7 50.0 7.5 51.0 28.7 52.0 7.9 53.0 13.1 54.0 1.5 57.0 1.0 61.0 3.6 62.0 5.2 63.0 5.8 64.0 1.5 65.0 30.5 66.0 17.5 67.0 100.0 68.0 8.9 73.0 3.0 75.0 3.8 76.0 1.2 77.0 1.2 81.0 1.1 87.0 7.5 89.0 2.8 91.0 1.5 101.0 3.9 102.0 90.1 103.0 7.8 104.0 29.3 105.0 2.2
parameter in CDCl3
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1H NMR 300 MHz C5 H7 Cl 0.05 ml : 0.5 ml CDCl3 1-chloro-2-pentyne 
Parameter ppm Hz
D(A) 4.147 D(B) 2.249 D(C) 1.147 J(A,B) -2.32 J(A,C) 0. J(B,C) 7.57
Hz ppm Int.1246.42 4.155 366 1244.12 4.147 715 1241.81 4.139 372 688.50 2.295 39 686.19 2.287 77 683.86 2.280 43 680.93 2.270 125 678.60 2.262 240 676.26 2.254 125 673.36 2.245 134 671.03 2.237 251 668.73 2.229 129 665.80 2.219 50 663.49 2.212 88 661.16 2.204 45 351.59 1.172 508 344.03 1.147 1000 336.46 1.122 454
in CDCl3
liquid film
