Product NameTributyl citrate
CAS77-94-1
Molecular FormulaC18H32O7
Molecular Weight360.44
InChIInChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
InChIKey ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
SmilesC(C(OCCCC)=O)C(O)(C(OCCCC)=O)CC(OCCCC)=O
Mass
MS-NW-1762 tributyl 2-hydroxy-1,2,3-propanetricarboxylate C18H32O7 (Mass of molecular ion: 360)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.5 17.0 1.5 18.0 7.0 26.0 1.4 27.0 16.5 28.0 13.8 29.0 82.0 30.0 2.1 31.0 8.7 32.0 4.0 39.0 9.5 40.0 2.2 41.0 69.4 42.0 8.3 43.0 18.9 44.0 3.5 45.0 1.2 53.0 1.3 55.0 12.0 56.0 22.3 57.0 76.3 58.0 3.6 60.0 5.3 61.0 2.1 69.0 5.7 73.0 1.0 74.0 1.3 84.0 7.4 85.0 2.6 87.0 12.6 101.0 1.2 102.0 11.6 103.0 3.2 105.0 1.3 111.0 16.0 112.0 3.8 113.0 2.1 115.0 2.4 128.0 1.0 129.0 89.6 130.0 5.7 131.0 1.1 133.0 1.9 139.0 5.0 143.0 2.3 147.0 10.6 157.0 7.1 158.0 3.8 185.0 100.0 186.0 10.4 187.0 1.3 203.0 3.8 213.0 1.6 259.0 25.6 260.0 4.0
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C18 H32 O7 | 0.04 ml : 0.5 ml CDCl3 |
tributyl 2-hydroxy-1,2,3-propanetricarboxylate |
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Assign. Shift(ppm) |
Hz ppm Int.
383.75 4.285 154 377.38 4.214 419 372.63 4.161 286 370.81 4.141 554 366.13 4.089 725 359.63 4.016 362 255.31 2.851 747 253.38 2.830 853 156.88 1.752 99 153.19 1.711 83 152.69 1.705 86 152.13 1.699 86 149.88 1.674 163 148.63 1.660 148 147.44 1.647 111 146.94 1.641 106 143.69 1.605 244 142.13 1.587 226 137.88 1.540 261 136.50 1.525 228 135.50 1.513 208 133.25 1.488 166 131.94 1.474 237 130.69 1.460 167 127.75 1.427 178 126.19 1.409 231 124.31 1.389 181 122.31 1.366 121 120.50 1.346 169 119.75 1.338 145 118.69 1.326 124 117.50 1.312 173 115.75 1.293 96 114.25 1.276 83 112.94 1.262 95 111.25 1.243 142 90.13 1.007 393 89.31 0.998 463 85.75 0.958 83 83.94 0.938 481 82.69 0.924 1000 81.19 0.907 329 77.63 0.867 142 76.56 0.855 210 75.19 0.840 199 73.25 0.818 89
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
Tributyl citrate(77-94-1) 13C NMR Atlas of Related Products
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