Diethyl chlorothiophosphate(2524-04-1) 13C NMR
Product NameDiethyl chlorothiophosphate
CAS2524-04-1
Molecular FormulaC4H10ClO2PS
Molecular Weight188.61
InChIInChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3
InChIKey KMJJJTCKNZYTEY-UHFFFAOYSA-N
SmilesP(Cl)(=S)(OCC)OCC
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MassMS-NW-2937 O,O'-diethyl chlorothiophosphate C4H10ClO2PS (Mass of molecular ion: 188)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.4 15.0 7.3 26.0 6.6 27.0 44.1 28.0 16.0 29.0 70.4 30.0 1.5 31.0 2.0 32.0 3.9 34.0 1.6 35.0 1.6 36.0 2.4 42.0 1.3 43.0 11.9 44.0 2.7 45.0 64.7 46.0 1.9 47.0 17.9 48.0 2.4 58.0 1.3 59.0 2.2 60.0 9.0 61.0 5.2 62.0 1.4 63.0 5.9 64.0 1.1 65.0 17.7 67.0 2.2 79.0 7.2 80.0 5.0 81.0 1.0 83.0 18.3 85.0 5.6 91.0 1.7 93.0 3.5 96.0 5.1 97.0 76.3 98.0 1.9 99.0 9.8 100.0 6.0 101.0 2.2 102.0 1.8 108.0 1.5 110.0 1.2 111.0 15.9 113.0 5.3 114.0 2.0 115.0 28.9 116.0 62.2 117.0 13.1 118.0 22.2 119.0 1.6 121.0 1.9 125.0 24.8 126.0 1.7 127.0 4.2 128.0 1.5 129.0 1.5 131.0 2.4 132.0 71.5 133.0 40.7 134.0 26.7 135.0 14.8 136.0 1.3 143.0 8.7 144.0 64.7 145.0 8.2 146.0 24.2 147.0 2.0 148.0 1.1 153.0 10.8 159.0 2.2 160.0 7.7 161.0 16.1 162.0 3.3 163.0 5.5 188.0 100.0 189.0 5.9 190.0 36.1 191.0 1.9 192.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H10 Cl O2 P S 0.05 ml : 0.5 ml CDCl3 O,O'-diethyl chlorothiophosphate 
Assign. Shift(ppm)
A 4.300 B 1.414 J(P-31,H(B))=1.0HZ J(P-31,H(A))=11.0HZ
Hz ppm Int.401.69 4.486 71 400.56 4.473 77 394.44 4.405 222 393.50 4.394 235 390.69 4.363 87 390.00 4.355 93 387.25 4.324 251 386.50 4.316 249 383.44 4.282 284 382.94 4.276 266 380.13 4.245 107 379.63 4.239 109 376.19 4.201 354 369.13 4.122 173 133.94 1.496 491 132.94 1.485 510 129.13 1.442 30 126.94 1.418 973 125.94 1.407 1000 119.75 1.338 436 118.81 1.327 445
in CDCl3
liquid film
