Sebacoyl chloride(111-19-3) MS
Product NameSebacoyl chloride
CAS111-19-3
Molecular FormulaC10H16Cl2O2
Molecular Weight239.14
InChIInChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2
InChIKey WMPOZLHMGVKUEJ-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCCCCCCC(Cl)=O
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MassMS-IW-3596 sebacoyl dichloride C10H16Cl2O2 (Mass of molecular ion: 238)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 15.0 28.0 5.4 29.0 11.1 35.0 1.8 36.0 14.1 38.0 4.7 39.0 13.1 40.0 2.9 41.0 44.3 42.0 12.3 43.0 14.1 51.0 1.2 53.0 5.3 54.0 7.3 55.0 100.0 56.0 11.1 57.0 5.6 63.0 5.1 65.0 2.0 67.0 12.1 68.0 11.8 69.0 32.2 70.0 7.8 71.0 1.4 77.0 2.5 78.0 8.1 79.0 8.1 80.0 16.3 81.0 13.1 82.0 6.3 83.0 19.0 84.0 48.2 85.0 3.1 91.0 3.1 93.0 3.9 94.0 6.6 95.0 11.0 96.0 4.3 97.0 15.9 98.0 81.2 99.0 5.5 105.0 1.4 107.0 8.1 109.0 4.0 110.0 6.0 111.0 7.8 112.0 4.2 119.0 1.0 120.0 1.1 121.0 7.1 122.0 2.4 123.0 3.3 124.0 2.8 125.0 11.5 126.0 1.0 137.0 1.3 138.0 10.4 139.0 14.3 140.0 1.3 167.0 16.1 168.0 1.8 203.0 14.9 204.0 1.6 205.0 5.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H16 Cl2 O2 0.05 ml : 0.5 ml CDCl3 sebacoyl dichloride 
Assign. Shift(ppm)
A 2.890 B 1.702 C 1.33
Hz ppm Int.1162.72 2.910 574 1155.40 2.892 1000 1148.19 2.873 681 695.92 1.742 54 688.72 1.724 178 681.27 1.705 285 673.95 1.687 243 666.75 1.669 97 548.10 1.372 114 546.26 1.367 111 542.72 1.358 156 529.66 1.326 677
in CDCl3
liquid film
