PHENYLTHIOPHOSPHONIC DICHLORIDE(3497-00-5) 13C NMR
Product NamePHENYLTHIOPHOSPHONIC DICHLORIDE
CAS3497-00-5
Molecular FormulaC6H5Cl2PS
Molecular Weight211.05
InChIInChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H
InChIKey SXIWNIQDOJKDGB-UHFFFAOYSA-N
SmilesC1=CC=C(P(=S)(Cl)Cl)C=C1
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MassMS-IW-8107 phenylphosphonothioic dichloride C6H5Cl2PS (Mass of molecular ion: 210)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.5 38.0 1.0 39.0 2.8 50.0 8.6 51.0 26.7 52.0 1.5 56.0 1.9 57.0 1.6 63.0 15.8 65.0 4.8 68.0 1.3 69.0 2.8 74.0 3.1 75.0 3.0 76.0 2.1 77.0 33.9 78.0 2.4 80.0 2.5 81.0 3.1 82.0 1.1 91.0 1.2 101.0 2.6 103.0 1.8 107.0 10.1 108.0 2.9 109.0 94.7 110.0 7.2 111.0 4.8 112.0 2.0 139.0 28.1 140.0 2.5 141.0 2.1 143.0 16.5 144.0 1.2 145.0 5.4 174.0 1.0 175.0 85.2 176.0 6.7 177.0 31.6 178.0 3.7 179.0 1.5 180.0 1.0 210.0 100.0 211.0 7.6 212.0 68.6 213.0 5.1 214.0 13.1 215.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H5 Cl2 P S 0.05 ml : 0.5 ml CDCl3 phenylphosphonothioic dichloride 
Assign. Shift(ppm)
A 8.113 B 7.623 C 7.549
Hz ppm Int.3258.54 8.154 85 3256.47 8.149 531 3255.74 8.147 525 3255.13 8.145 627 3254.52 8.144 309 3253.78 8.142 341 3250.24 8.133 206 3248.17 8.128 839 3246.70 8.124 648 3239.26 8.106 92 3237.30 8.101 547 3236.08 8.098 638 3235.35 8.096 323 3234.62 8.094 345 3232.30 8.088 58 3230.96 8.085 213 3229.00 8.080 826 3227.54 8.076 681 3058.59 7.654 79 3057.37 7.651 151 3056.03 7.647 122 3054.32 7.643 172 3053.10 7.640 115 3052.37 7.638 123 3050.05 7.632 402 3047.24 7.625 411 3044.80 7.619 174 3043.82 7.617 246 3042.48 7.613 403 3041.14 7.610 319 3039.55 7.606 393 3038.21 7.603 213 3028.81 7.579 115 3026.73 7.574 551 3025.39 7.571 279 3022.71 7.564 151 3020.63 7.559 895 3019.04 7.555 1000 3014.28 7.543 477 3012.94 7.539 864 3012.33 7.538 645 3010.86 7.534 380 3007.32 7.525 170 3005.62 7.521 348 3004.64 7.519 255
in CDCl3
liquid film
