CYCLOUNDECANONE(878-13-7) MS
Product NameCYCLOUNDECANONE
CAS878-13-7
Molecular FormulaC11H20O
Molecular Weight168.28
InChIInChI=1S/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2
InChIKey UPOSSYJVWXLPTA-UHFFFAOYSA-N
SmilesC1(=O)CCCCCCCCCC1
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MassMS-NW-9737 cycloundecanone C11H20O (Mass of molecular ion: 168)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 12.4 28.0 5.1 29.0 17.8 39.0 15.8 40.0 4.0 41.0 64.8 42.0 29.6 43.0 42.5 44.0 1.4 51.0 1.2 53.0 6.8 54.0 15.3 55.0 100.0 56.0 34.4 57.0 16.0 58.0 65.7 59.0 16.6 65.0 1.8 66.0 2.9 67.0 27.1 68.0 29.5 69.0 46.3 70.0 30.7 71.0 56.5 72.0 6.3 77.0 1.9 78.0 1.9 79.0 16.0 80.0 7.3 81.0 30.4 82.0 24.8 83.0 45.2 84.0 37.6 85.0 10.3 86.0 3.5 91.0 1.9 93.0 13.2 94.0 9.9 95.0 13.6 96.0 6.8 97.0 52.1 98.0 81.2 99.0 7.9 100.0 3.0 107.0 7.2 108.0 13.4 109.0 5.1 110.0 21.2 111.0 92.1 112.0 35.5 113.0 5.0 121.0 9.1 122.0 2.1 125.0 72.3 126.0 8.7 127.0 2.4 135.0 4.5 139.0 5.9 140.0 1.1 150.0 1.5 153.0 2.0 168.0 35.6 169.0 9.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H20 O 0.05 ml : 0.5 ml CDCl3 cycloundecanone 
Assign. Shift(ppm)
A 2.497 B 1.762 C 1.429 D 1.34 E 1.28
Hz ppm Int.1004.39 2.514 877 1000.98 2.505 488 998.54 2.499 704 995.73 2.492 469 992.43 2.484 1000 716.67 1.794 241 710.69 1.779 468 708.25 1.773 426 704.35 1.763 745 700.81 1.754 447 698.49 1.748 504 694.21 1.738 188 692.26 1.733 279 585.33 1.465 166 578.98 1.449 455 571.90 1.432 674 566.04 1.417 592 560.06 1.402 280 541.75 1.356 461 534.91 1.339 543 530.52 1.328 431 529.17 1.325 420 522.95 1.309 350 516.60 1.293 669 513.92 1.286 695 511.35 1.280 802
in CDCl3
liquid film
