1,4-Bis(diphenylphosphino)butane(7688-25-7) MS
Product Name1,4-Bis(diphenylphosphino)butane
CAS7688-25-7
Molecular FormulaC28H28P2
Molecular Weight426.47
InChIInChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
InChIKey BCJVBDBJSMFBRW-UHFFFAOYSA-N
SmilesP(CCCCP(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
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MassMS-NW-8004 1,4-bis(diphenylphosphino)butane C28H28P2 (Mass of molecular ion: 426)
Source Temperature: 180 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 2.4 29.0 2.3 39.0 2.1 51.0 2.5 55.0 5.7 57.0 2.3 65.0 2.4 77.0 4.3 78.0 1.8 79.0 1.1 83.0 1.9 91.0 8.0 95.0 1.0 107.0 7.6 108.0 21.4 109.0 13.3 110.0 1.0 115.0 2.9 121.0 12.3 122.0 1.2 128.0 1.0 131.0 1.6 133.0 4.2 134.0 3.0 135.0 1.1 141.0 1.3 152.0 4.5 153.0 1.0 157.0 1.3 163.0 2.6 164.0 1.2 165.0 1.4 170.0 1.7 183.0 37.3 184.0 5.7 185.0 17.0 186.0 4.8 187.0 1.1 197.0 1.0 199.0 6.5 200.0 1.5 212.0 11.4 213.0 7.0 213.5 1.0 239.0 12.5 240.0 13.5 241.0 83.9 242.0 14.5 243.0 1.4 262.0 13.5 263.0 4.0 317.0 1.9 349.0 100.0 350.0 24.2 351.0 3.1 426.0 34.0 427.0 10.7 428.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C28 H28 P2 0.030 g : 0.5 ml CDCl3 1,4-bis(diphenylphosphino)butane 
Assign. Shift(ppm)
A 7.37 B 7.33 to 7.28 C 2.012 D 1.549
Hz ppm Int.2959.11 7.405 42 2957.15 7.400 220 2956.05 7.397 161 2952.64 7.389 322 2949.58 7.381 544 2947.51 7.376 537 2945.68 7.371 396 2942.38 7.363 455 2940.31 7.358 424 2938.48 7.353 208 2937.26 7.350 94 2936.16 7.347 70 2933.72 7.341 37 2932.37 7.338 30 2930.91 7.334 60 2929.81 7.331 82 2925.42 7.320 194 2924.07 7.317 262 2920.04 7.307 784 2916.50 7.298 1000 2915.89 7.297 999 2914.67 7.294 836 2913.57 7.291 802 2906.74 7.274 52 2904.79 7.269 38 811.77 2.032 140 804.20 2.013 221 796.75 1.994 168 630.37 1.578 58 622.56 1.558 190 618.90 1.549 165 614.99 1.539 178 607.06 1.519 52
50MHZ
22.5MHZ
KBr disc
nujol mull
