CYCLOPENTADECENE OXIDE(287-08-1) 13C NMR
Product NameCYCLOPENTADECENE OXIDE
CAS287-08-1
Molecular FormulaC15H28O
Molecular Weight224.38
InChIInChI=1S/C15H28O/c1-2-4-6-8-10-12-14-15(16-14)13-11-9-7-5-3-1/h14-15H,1-13H2
InChIKey DAJSMXMRMNHEBW-UHFFFAOYSA-N
SmilesC12C(O1)CCCCCCCCCCCCC2
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MassMS-KW-0170 16-oxabicyclo(13.1.0)hexadecane C15H28O (Mass of molecular ion: 224)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
27.0 13.7 28.0 3.7 29.0 27.6 31.0 2.0 39.0 13.8 40.0 2.7 41.0 73.7 42.0 13.4 43.0 34.2 44.0 6.1 45.0 3.1 53.0 7.8 54.0 20.7 55.0 93.8 56.0 18.6 57.0 38.9 58.0 7.7 59.0 3.1 65.0 2.1 66.0 8.5 67.0 60.8 68.0 46.8 69.0 54.6 70.0 19.6 71.0 19.7 72.0 3.4 77.0 2.7 78.0 1.8 79.0 14.1 80.0 35.3 81.0 54.2 82.0 100.0 83.0 55.3 84.0 14.2 85.0 8.5 86.0 1.4 91.0 1.7 93.0 13.8 94.0 19.1 95.0 41.7 96.0 55.2 97.0 36.7 98.0 16.0 99.0 3.2 107.0 7.8 108.0 8.2 109.0 18.8 110.0 16.2 111.0 16.4 112.0 5.1 113.0 1.2 121.0 14.9 122.0 7.5 123.0 10.5 124.0 11.7 125.0 6.8 126.0 1.5 135.0 11.6 136.0 5.6 137.0 6.8 138.0 5.1 139.0 2.1 149.0 7.1 150.0 3.0 151.0 1.9 152.0 1.7 163.0 2.6 164.0 1.5 165.0 1.0 166.0 1.3 167.0 1.2 177.0 1.3 178.0 1.3 180.0 1.4 181.0 1.2 196.0 1.3 206.0 8.4 207.0 2.2 208.0 1.0 224.0 6.8 225.0 3.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H28 O 0.036 g : 0.5 ml CDCl3 16-oxabicyclo(13.1.0)hexadecane 
Assign. Shift(ppm)
A 2.674 B 2.019 C 1.46 D 1.36 E 1.32 F 1.134
Hz ppm Int.1076.42 2.694 144 1074.46 2.689 361 1071.78 2.682 295 1070.80 2.680 211 1066.89 2.670 213 1065.92 2.668 301 1063.23 2.661 374 1061.28 2.656 136 822.14 2.058 70 819.09 2.050 88 816.16 2.043 157 813.11 2.035 156 809.57 2.026 134 806.64 2.019 137 802.49 2.008 186 799.56 2.001 171 796.26 1.993 108 793.21 1.985 93 578.61 1.448 479 526.86 1.319 1000 470.70 1.178 85 464.36 1.162 152 462.16 1.157 105 457.15 1.144 173 455.81 1.141 172 450.81 1.129 161 449.10 1.124 159 444.09 1.112 108 442.14 1.107 136 435.42 1.090 78
in CDCl3
KBr disk
Nujol
