METHYL ADIPOYL CHLORIDE(35444-44-1) IR1
Product NameMETHYL ADIPOYL CHLORIDE
CAS35444-44-1
Molecular FormulaC7H11ClO3
Molecular Weight178.61
InChIInChI=1S/C7H11ClO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3
InChIKey HDLGIEZOMYJKAK-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCC(Cl)=O
-
MassMS-NW-7848 methyl 5-(chloroformyl)valerate C7H11ClO3 (Mass of molecular ion: 178)
Source Temperature: 230 °C Sample Temperature: 140 °C Reservoir, 75 eV
14.0 1.3 15.0 21.7 26.0 6.0 27.0 30.2 28.0 16.9 29.0 16.6 30.0 1.0 31.0 4.2 32.0 2.0 35.0 1.6 36.0 6.7 38.0 2.3 39.0 19.9 40.0 3.1 41.0 32.2 42.0 15.6 43.0 22.6 44.0 1.8 45.0 4.6 48.0 1.0 49.0 1.1 50.0 1.8 51.0 2.5 52.0 1.2 53.0 7.0 54.0 12.3 55.0 100.0 56.0 9.5 57.0 3.1 58.0 1.8 59.0 44.3 60.0 1.7 63.0 4.5 64.0 2.2 65.0 1.7 67.0 1.3 68.0 7.9 69.0 10.9 71.0 3.7 72.0 8.7 73.0 18.8 74.0 41.5 75.0 2.0 77.0 1.0 78.0 1.1 81.0 1.7 82.0 12.0 83.0 32.7 84.0 4.1 85.0 1.0 86.0 1.0 87.0 7.8 90.0 1.4 91.0 1.9 97.0 2.7 99.0 2.8 100.0 2.8 101.0 6.5 110.0 3.5 111.0 51.5 112.0 3.9 113.0 1.9 114.0 77.7 115.0 26.5 116.0 2.2 118.0 2.5 119.0 5.0 120.0 1.0 121.0 1.8 129.0 1.5 142.0 1.1 143.0 17.3 144.0 1.6 146.0 1.9 147.0 29.3 148.0 2.9 149.0 9.9
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H11 Cl O3 ca 1 mg : 0.5 ml CDCl3 methyl 5-(chloroformyl)valerate 
Assign. Shift(ppm)
A 3.682 B 2.932 C 2.356 D 1.75 E 1.70
Hz ppm Int.1471.68 3.683 1000 1179.44 2.952 123 1172.49 2.934 221 1165.41 2.917 161 948.49 2.374 133 941.28 2.356 221 934.33 2.338 112 710.57 1.778 45 708.37 1.773 39 705.44 1.766 42 703.25 1.760 43 702.76 1.759 42 701.90 1.757 59 701.17 1.755 55 700.56 1.753 57 698.24 1.748 57 695.07 1.740 83 693.60 1.736 78 691.41 1.731 74 690.31 1.728 67 688.84 1.724 62 687.87 1.722 84 685.55 1.716 72 684.20 1.712 84 680.79 1.704 62 678.47 1.698 55 677.49 1.696 62 675.90 1.692 46 673.46 1.686 35 670.65 1.679 37 668.58 1.673 36
in CDCl3
KBr disc
