Tributyl phosphate(126-73-8) MS
Product NameTributyl phosphate
CAS126-73-8
Molecular FormulaC12H27O4P
Molecular Weight266.31
InChIInChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKey STCOOQWBFONSKY-UHFFFAOYSA-N
SmilesP(OCCCC)(OCCCC)(OCCCC)=O
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MassMS-NW-0788 tributyl phosphate C12H27O4P (Mass of molecular ion: 266)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.9 28.0 3.0 29.0 15.4 31.0 1.1 39.0 4.0 41.0 19.9 42.0 2.1 43.0 4.1 54.0 1.1 55.0 6.9 56.0 7.2 57.0 17.6 81.0 1.2 82.0 1.4 83.0 1.2 99.0 100.0 111.0 2.6 112.0 1.3 113.0 1.6 125.0 6.7 127.0 1.7 137.0 5.0 139.0 1.1 153.0 1.6 154.0 1.0 155.0 24.4 156.0 1.0 167.0 1.7 183.0 1.0 211.0 12.8 212.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H27 O4 P 0.05 ml : 0.5 ml CDCl3 tributyl phosphate 
Assign. Shift(ppm)
A 4.041 B 1.669 C 1.425 D 0.944 J(A,P-31)=6.8HZ
Hz ppm Int.1625.37 4.067 233 1618.65 4.051 531 1611.82 4.034 546 1605.10 4.017 251 681.15 1.705 87 674.44 1.688 233 667.85 1.672 274 667.11 1.670 268 665.89 1.667 231 659.42 1.650 248 653.08 1.635 110 587.77 1.471 73 584.11 1.462 38 580.32 1.453 209 574.58 1.438 129 572.63 1.433 307 567.26 1.420 133 565.06 1.414 316 559.94 1.402 71 557.74 1.396 207 550.42 1.378 66 384.64 0.963 609 377.20 0.944 1000 369.87 0.926 580
in CDCl3
liquid film
4880 A,200 M,liquid
