CYCLOPENTADECANOL(4727-17-7) IR2
Product NameCYCLOPENTADECANOL
CAS4727-17-7
Molecular FormulaC15H30O
Molecular Weight226.4
InChIInChI=1S/C15H30O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h15-16H,1-14H2
InChIKey FFVHXGZXDRXFLQ-UHFFFAOYSA-N
SmilesC1(O)CCCCCCCCCCCCCC1
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MassMS-IW-9745 cyclopentadecanol C15H30O (Mass of molecular ion: 226)
Source Temperature: 130 °C Sample Temperature: 80 °C Direct, 75 eV
18.0 3.9 27.0 5.5 28.0 2.2 29.0 14.6 31.0 2.1 39.0 5.7 40.0 1.3 41.0 42.0 42.0 8.2 43.0 26.7 44.0 7.9 45.0 3.8 53.0 4.0 54.0 17.2 55.0 58.6 56.0 15.0 57.0 43.4 58.0 5.4 59.0 1.3 66.0 10.1 67.0 41.4 68.0 42.7 69.0 35.8 70.0 12.6 71.0 18.6 72.0 4.1 79.0 2.8 80.0 4.9 81.0 40.2 82.0 100.0 83.0 42.0 84.0 8.7 85.0 9.1 86.0 1.9 93.0 1.2 94.0 3.5 95.0 33.4 96.0 78.4 97.0 28.8 98.0 5.8 99.0 2.9 108.0 1.7 109.0 18.6 110.0 23.4 111.0 9.2 112.0 3.3 113.0 1.4 122.0 1.9 123.0 12.7 124.0 17.7 125.0 4.8 126.0 3.5 127.0 1.1 136.0 1.3 137.0 9.5 138.0 10.9 139.0 2.6 140.0 2.9 151.0 5.4 152.0 8.7 153.0 1.5 154.0 1.0 165.0 2.8 166.0 4.2 179.0 1.2 180.0 9.8 181.0 1.6 182.0 3.4 208.0 69.9 209.0 12.1 210.0 1.4 224.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H30 O 0.039 g : 0.5 ml CDCl3 cyclopentadecanol 
Assign. Shift(ppm)
A 3.725 B *1 1.562 C 1.49 D *1 1.48 E 1.39 F 1.33
Hz ppm Int.1495.97 3.744 71 1490.36 3.730 116 1484.74 3.716 72 1484.13 3.714 75 637.82 1.596 69 631.47 1.581 110 625.12 1.565 99 623.90 1.562 131 617.55 1.546 138 611.69 1.531 55 605.22 1.515 51 597.90 1.497 167 592.29 1.483 217 586.30 1.468 90 584.23 1.462 87 581.79 1.456 43 578.37 1.448 99 572.75 1.434 68 559.45 1.400 262 554.20 1.387 394 547.73 1.371 358 530.40 1.328 1000
in CDCl3
KBr disc
nujol mull
