DL-2-Methylbutyryl chloride(57526-28-0) MS
Product NameDL-2-Methylbutyryl chloride
CAS57526-28-0
Molecular FormulaC5H9ClO
Molecular Weight120.58
InChIInChI=1S/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3
InChIKey XRPVXVRWIDOORM-UHFFFAOYSA-N
SmilesC(Cl)(=O)C(C)CC
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MassMS-IW-3775 (+-)-2-methylbutyryl chloride C5H9ClO (Mass of molecular ion: 120)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 3.4 27.0 15.8 28.0 7.8 29.0 42.1 30.0 1.1 36.0 1.0 38.0 1.8 39.0 12.2 40.0 1.7 41.0 47.9 42.0 3.8 43.0 1.1 50.0 1.4 51.0 1.4 53.0 1.8 55.0 7.5 56.0 7.4 57.0 100.0 58.0 4.9 63.0 3.0 65.0 1.0 69.0 1.3 74.0 5.0 84.0 1.0 85.0 16.3 87.0 1.3 91.0 1.1 92.0 18.9 93.0 1.0 94.0 6.1 105.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H9 Cl O 0.05 ml : 0.5 ml CDCl3 (+-)-2-methylbutyryl chloride 
Assign. Shift(ppm)
A 2.820 B *1 1.828 C *1 1.618 D 1.283 E 0.979 J(A,B)=7.0HZ J(A,C)=7.3HZ J(B,C)=-14.0HZ
Hz ppm Int.1137.70 2.847 101 1130.98 2.830 186 1124.27 2.814 197 1117.40 2.796 114 746.31 1.868 76 739.29 1.850 117 732.27 1.833 149 725.25 1.815 157 717.93 1.797 110 710.45 1.778 34 666.66 1.669 31 659.18 1.650 88 652.77 1.634 131 651.70 1.631 99 645.29 1.615 156 638.73 1.599 94 637.82 1.596 102 631.41 1.580 72 516.51 1.293 1000 509.49 1.275 972 398.86 0.999 561 391.39 0.980 946 383.91 0.961 511
in CDCl3
liquid film
