4-Chlorobutyl acetate(6962-92-1) MS
Product Name4-Chlorobutyl acetate
CAS6962-92-1
Molecular FormulaC6H11ClO2
Molecular Weight150.6
InChIInChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
InChIKey PYLDCZJUHYVOAF-UHFFFAOYSA-N
SmilesC(OC(=O)C)CCCCl
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MassMS-IW-9136 4-chlorobutyl acetate C6H11ClO2 (Mass of molecular ion: 150)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.7 27.0 4.6 28.0 1.9 29.0 3.7 39.0 3.7 41.0 6.5 42.0 5.2 43.0 100.0 44.0 2.9 49.0 1.1 53.0 1.4 54.0 28.4 55.0 20.5 58.0 3.8 61.0 13.1 62.0 2.7 71.0 2.5 73.0 14.3 87.0 1.3 90.0 4.9 91.0 1.1 92.0 1.6 107.0 3.4 109.0 1.0 115.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H11 Cl O2 0.05 ml : 0.5 ml CDCl3 4-chlorobutyl acetate 
Assign. Shift(ppm)
A 4.101 B 3.579 C 2.054 D 1.85 E 1.81
Hz ppm Int.1645.51 4.118 227 1639.28 4.102 362 1633.06 4.087 185 1436.52 3.595 208 1430.30 3.579 391 1423.83 3.563 247 821.04 2.055 1000 817.26 2.045 49 752.81 1.884 57 751.95 1.882 62 750.37 1.878 74 747.68 1.871 72 746.83 1.869 61 745.24 1.865 89 743.77 1.862 134 741.21 1.855 121 738.77 1.849 65 737.43 1.846 137 736.21 1.843 114 734.74 1.839 76 731.57 1.831 115 730.22 1.828 116 726.93 1.819 71 725.59 1.816 111 724.37 1.813 131 723.02 1.810 67 720.58 1.804 102 718.14 1.797 124 716.55 1.793 79 715.09 1.790 57 714.23 1.788 62 711.55 1.781 67 709.96 1.777 52 708.98 1.775 52
in CDCl3
liquid film
