Allyl chloroformate(2937-50-0) MS
Product NameAllyl chloroformate
CAS2937-50-0
Molecular FormulaC4H5ClO2
Molecular Weight120.53
InChIInChI=1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2
InChIKey CAEWJEXPFKNBQL-UHFFFAOYSA-N
SmilesC(Cl)(OCC=C)=O
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MassMS-IW-4899 allyl chloroformate C4H5ClO2 (Mass of molecular ion: 120)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.0 15.0 3.3 25.0 1.4 26.0 8.9 27.0 22.2 28.0 15.6 29.0 23.5 30.0 1.0 31.0 2.4 35.0 4.1 36.0 5.9 37.0 5.8 38.0 9.9 39.0 73.0 40.0 52.9 41.0 100.0 42.0 7.1 42.5 1.6 43.0 3.2 44.0 31.8 45.0 1.7 49.0 1.0 55.0 5.6 56.0 5.6 57.0 32.5 58.0 1.4 63.0 95.3 64.0 2.8 65.0 34.1 75.0 1.6 76.0 19.9 77.0 1.3 78.0 9.6 80.0 1.1 81.0 2.0 84.0 2.7 85.0 5.2 91.0 1.5 92.0 1.9 93.0 1.6 120.0 3.1 122.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H5 Cl O2 0.04 ml : 0.5 ml CDCl3 allyl chloroformate 
Assign. Shift(ppm)
A 5.93 B 5.43 C 5.37 D 4.78
Hz ppm Int.554.25 6.189 98 548.19 6.121 148 544.81 6.084 63 544.06 6.075 77 542.50 6.058 111 539.13 6.020 84 538.06 6.008 131 537.31 6.000 106 536.56 5.992 106 533.81 5.961 56 532.44 5.946 99 531.31 5.933 160 530.25 5.921 147 527.19 5.887 210 525.69 5.870 132 524.31 5.855 109 521.56 5.824 290 521.13 5.819 372 515.63 5.758 307 495.88 5.537 174 494.63 5.523 397 494.13 5.518 382 493.00 5.505 683 491.75 5.491 290 487.75 5.447 300 486.81 5.436 592 485.81 5.425 403 485.19 5.418 339 484.25 5.407 152 479.06 5.350 229 477.69 5.334 532 476.38 5.320 373 475.94 5.315 284 475.06 5.305 470 474.19 5.295 291 431.69 4.821 733 430.81 4.811 1000 429.56 4.797 703 427.88 4.778 53 425.81 4.755 522 424.75 4.743 865 423.69 4.731 556
in CDCl3
liquid film
