ALLYL FORMATE(1838-59-1) 13C NMR
Product NameALLYL FORMATE
CAS1838-59-1
Molecular FormulaC4H6O2
Molecular Weight86.09
InChIInChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2
InChIKey ZHHZHHSFKCANOC-UHFFFAOYSA-N
SmilesC(OCC=C)=O
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MassMS-NW-2190 allyl formate C4H6O2 (Mass of molecular ion: 86)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.6 18.0 2.5 26.0 5.8 27.0 15.8 28.0 10.7 29.0 25.6 30.0 11.8 31.0 24.9 37.0 2.6 38.0 5.3 39.0 45.3 40.0 18.0 41.0 26.8 42.0 1.3 43.0 3.6 44.0 1.9 45.0 1.0 46.0 1.1 47.0 2.6 55.0 2.8 57.0 100.0 58.0 24.9 59.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H6 O2 0.02 ml : 0.5 ml CDCl3 allyl formate 
Assign. Shift(ppm)
A 8.09 B 5.93 C 5.37 D 5.28 E 4.67
Hz ppm Int.724.63 8.092 1000 720.06 8.040 43 719.50 8.034 40 552.50 6.170 103 546.81 6.106 135 542.31 6.056 133 541.25 6.044 92 540.88 6.040 91 540.25 6.033 70 536.75 5.994 168 535.25 5.977 186 533.31 5.955 30 533.00 5.952 30 530.94 5.929 114 529.56 5.913 236 527.00 5.885 35 525.19 5.865 238 524.13 5.853 155 521.88 5.828 32 519.50 5.801 316 517.63 5.780 34 517.19 5.775 30 514.19 5.742 184 489.25 5.463 179 487.81 5.447 425 486.19 5.429 581 484.81 5.414 285 482.75 5.391 66 481.75 5.380 66 481.31 5.375 70 479.25 5.352 215 478.69 5.345 294 477.56 5.333 537 476.38 5.320 378 475.88 5.314 360 474.75 5.301 191 473.69 5.290 63 472.13 5.272 158 470.69 5.256 307 469.00 5.237 341 467.50 5.220 430 466.94 5.214 280 465.88 5.202 424 464.69 5.189 259 461.50 5.153 34 461.13 5.149 33 460.56 5.143 30 422.44 4.717 377 421.44 4.706 776 420.31 4.694 746 419.13 4.680 443 416.88 4.655 378 415.75 4.643 733 414.75 4.631 712 413.44 4.617 426 410.81 4.587 72 409.81 4.576 56 408.38 4.560 43 407.63 4.552 35
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
