TRIPHENYLPHOSPHINE SULFIDE(3878-45-3) MS
Product NameTRIPHENYLPHOSPHINE SULFIDE
CAS3878-45-3
Molecular FormulaC18H15PS
Molecular Weight294.35
InChIInChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey VYNGFCUGSYEOOZ-UHFFFAOYSA-N
SmilesP(=S)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
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MassMS-NW-6725 triphenylphosphine sulfide C18H15PS (Mass of molecular ion: 294)
Source Temperature: 200 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.3 27.0 4.5 38.0 1.2 39.0 10.2 45.0 1.6 50.0 11.4 51.0 41.4 52.0 3.5 56.0 2.0 57.0 7.0 62.0 1.4 63.0 21.6 65.0 7.5 68.0 1.0 69.0 4.4 74.0 4.0 75.0 3.7 76.0 3.0 77.0 27.8 78.0 4.2 80.0 2.8 81.0 6.5 82.0 2.6 83.0 2.9 87.0 1.1 89.0 2.2 91.0 1.3 95.0 1.0 102.0 2.1 107.0 25.9 108.0 15.2 109.0 8.3 115.0 7.8 116.0 1.0 120.0 1.0 126.0 1.8 127.0 1.4 128.0 2.8 131.0 1.1 133.0 5.5 139.0 34.7 140.0 4.3 141.0 4.2 150.0 1.0 151.0 2.3 152.0 17.6 153.0 5.1 154.0 2.6 157.0 7.2 158.0 1.1 159.0 1.2 170.0 4.8 171.0 1.4 181.0 3.0 182.0 1.7 183.0 100.0 184.0 17.6 185.0 61.7 186.0 9.1 189.0 1.2 215.0 9.2 216.0 1.6 217.0 10.5 218.0 1.6 259.0 1.1 261.0 6.7 262.0 15.6 263.0 3.2 293.0 40.2 294.0 72.3 295.0 15.9 296.0 4.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C18 H15 P S 0.032 g : 0.5 ml CDCl3 triphenylphosphine sulfide 
Assign. Shift(ppm)
A 7.721 B 7.503 C 7.441 J(A,P-31)=13.3HZ, J(B,P-31)=2.1HZ, J(C,P-31)=3.1HZ 90MHZ : HSP-03-787
Hz ppm Int.3104.98 7.770 31 3099.49 7.756 126 3097.41 7.751 601 3096.44 7.748 827 3094.73 7.744 400 3091.43 7.736 271 3089.48 7.731 1000 3087.77 7.727 822 3086.43 7.723 183 3084.11 7.718 620 3083.13 7.715 818 3081.42 7.711 403 3078.00 7.702 265 3075.93 7.697 993 3074.46 7.693 800 3015.01 7.545 31 3013.43 7.541 36 3009.77 7.532 111 3008.42 7.528 200 3006.35 7.523 206 3005.00 7.520 152 3003.78 7.517 165 3001.22 7.510 544 2999.02 7.505 616 2996.70 7.499 214 2995.24 7.495 321 2993.77 7.491 542 2991.70 7.486 511 2990.36 7.483 267 2987.92 7.477 77 2982.91 7.464 208 2980.96 7.459 762 2979.74 7.456 462 2977.91 7.452 774 2976.68 7.449 385 2974.85 7.444 583 2973.51 7.441 957 2971.80 7.437 742 2970.46 7.433 964 2968.63 7.429 317 2968.26 7.428 301 2966.31 7.423 453 2964.97 7.419 383 2963.26 7.415 428 2962.04 7.412 249
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1H NMR 89.56 MHz C18 H15 P S 0.045 g : 0.5 ml CDCl3 triphenylphosphine sulfide Assign. Shift(ppm)
A 7.709 B 7.52 to 7.38
Hz ppm Int.703.19 7.852 377 701.06 7.828 443 699.63 7.812 116 698.00 7.794 259 697.19 7.785 240 696.56 7.778 326 695.75 7.769 237 694.31 7.753 281 693.38 7.743 591 691.50 7.722 109 690.13 7.706 333 688.06 7.683 396 686.56 7.666 118 685.81 7.658 163 685.13 7.650 292 683.63 7.634 302 683.19 7.629 308 681.69 7.612 170 681.06 7.605 305 680.31 7.597 686 678.75 7.579 144 677.44 7.565 99 677.13 7.561 94 675.75 7.546 143 674.25 7.529 214 673.19 7.517 276 671.25 7.495 1000 669.13 7.472 992 668.38 7.463 952 667.19 7.450 555 666.50 7.442 805 665.94 7.436 738 663.94 7.414 559 662.88 7.402 306 662.13 7.394 290 661.06 7.382 385 659.69 7.366 154 658.13 7.349 60 657.69 7.344 67 657.00 7.336 49 656.25 7.328 114 655.75 7.322 58 655.00 7.314 50
in CDCl3
KBr disc
nujol mull
