VINYL FORMATE(692-45-5) IR1
Molecular FormulaC3H4O2
Molecular Weight72.06
InChIInChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2
InChIKey GFJVXXWOPWLRNU-UHFFFAOYSA-N
SmilesC(OC=C)=O
-

Mass
MS-NW-4432
vinyl formate
C3H4O2 (Mass of molecular ion: 72)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
13.0 2.3
14.0 6.8
15.0 26.5
16.0 2.6
18.0 4.1
25.0 2.2
26.0 11.6
27.0 31.5
28.0 4.3
29.0 69.3
30.0 1.1
31.0 1.1
41.0 2.0
42.0 11.8
43.0 100.0
44.0 86.4
45.0 15.4
46.0 6.8
72.0 9.8
87.0 1.2
89.0 1.9
90 MHz in CDCl3
parameter neat
-

1H NMR |
89.56 MHz |
C3 H4 O2
|
0.04 ml : 0.5 ml CDCl3
|
vinyl formate
|
 |
Assign. Shift(ppm)
A 8.031
B 7.319
C 5.007
D 4.692
|
Hz ppm Int.
721.06 8.052 649
720.44 8.045 918
719.44 8.034 915
718.81 8.027 1000
718.06 8.018 729
716.94 8.006 272
666.38 7.441 576
665.75 7.434 576
660.13 7.371 609
659.50 7.364 621
652.50 7.286 643
651.88 7.279 647
651.31 7.273 218
646.25 7.216 671
456.31 5.096 588
455.56 5.087 642
454.50 5.075 696
453.69 5.066 709
442.44 4.941 513
441.69 4.932 538
440.63 4.920 632
439.81 4.911 649
425.13 4.747 611
423.50 4.729 798
421.63 4.708 607
418.88 4.678 643
417.25 4.659 786
415.38 4.639 566
-

1H NMR |
300 MHz |
C3 H4 O2
|
neat
|
vinyl formate
|
 |
Parameter ppm Hz
D(A) 4.658
D(B) 4.955
D(C) 7.330
D(D) 8.068
J(A,B) -1.7
J(A,C) 6.4
J(A,D) 1.6
J(B,C) 13.9
J(B,D) 0.8
J(C,D) -0.7
HRUSKA,F. ET AL. CAN.J.CHEM. 43, 1942 (1965)
|
Hz ppm Int.
2421.18 8.071 944
2420.41 8.068 1000
2419.64 8.065 945
2209.54 7.365 428
2208.93 7.363 427
2203.15 7.344 437
2202.54 7.342 435
2195.64 7.319 447
2195.03 7.317 446
2189.25 7.297 453
2188.64 7.295 451
1494.61 4.982 448
1493.87 4.980 492
1492.94 4.976 505
1492.20 4.974 462
1480.71 4.936 430
1479.97 4.933 472
1479.04 4.930 487
1478.30 4.928 445
1402.24 4.674 408
1400.61 4.669 745
1398.97 4.663 401
1395.82 4.653 410
1394.19 4.647 733
1392.55 4.642 387