TRI-N-BUTYLPHOSPHINE OXIDE(814-29-9) Raman
Product NameTRI-N-BUTYLPHOSPHINE OXIDE
CAS814-29-9
Molecular FormulaC12H27OP
Molecular Weight218.32
InChIInChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKey MNZAKDODWSQONA-UHFFFAOYSA-N
SmilesP(=O)(CCCC)(CCCC)CCCC
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MassMS-NW-6082 tributylphosphine oxide C12H27OP (Mass of molecular ion: 218)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
17.0 1.7 18.0 8.0 27.0 6.8 29.0 21.4 39.0 3.8 41.0 13.4 43.0 2.5 47.0 4.0 48.0 1.5 49.0 4.9 53.0 1.2 55.0 19.9 56.0 1.6 57.0 4.2 59.0 1.1 61.0 1.3 62.0 1.2 63.0 22.8 64.0 5.9 75.0 2.3 76.0 1.9 77.0 4.0 78.0 67.9 79.0 2.0 85.0 1.0 87.0 2.8 89.0 1.1 90.0 1.8 91.0 2.1 92.0 100.0 93.0 3.6 103.0 1.1 104.0 1.4 105.0 7.4 106.0 5.0 107.0 2.4 118.0 1.1 119.0 1.2 120.0 34.2 121.0 2.4 133.0 5.6 134.0 20.1 135.0 1.5 147.0 20.9 148.0 2.2 161.0 16.9 162.0 19.3 163.0 2.1 176.0 8.7 177.0 1.0 189.0 33.2 190.0 4.0 203.0 1.0 217.0 1.8 218.0 3.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H27 O P 0.05 ml : 0.5 ml CDCl3 tributylphosphine oxide 
Assign. Shift(ppm)
A 1.679 B 1.552 C 1.432 D 0.941
Hz ppm Int.687.38 1.720 97 680.30 1.703 111 678.71 1.699 98 676.39 1.693 134 674.68 1.689 130 670.65 1.679 260 666.99 1.669 92 661.62 1.656 82 659.55 1.651 209 630.98 1.579 136 627.44 1.570 82 626.34 1.568 88 624.15 1.562 170 620.97 1.554 126 619.14 1.550 121 615.72 1.541 142 614.38 1.538 131 611.69 1.531 95 607.54 1.521 116 582.64 1.458 179 575.20 1.440 275 567.87 1.421 260 560.67 1.403 142 383.30 0.960 603 375.98 0.941 1000 368.77 0.923 528
in CDCl3
liquid film
