N-甲酰嗎啉(4394-85-8)Raman光譜
InChI:InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
InChIKey: LCEDQNDDFOCWGG-UHFFFAOYSA-N
Smiles:N1(C=O)CCOCC1
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Mass
MS-NW-1423
4-morpholinecarbaldehyde
C5H9NO2 (Mass of molecular ion: 115)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
14.0 1.4
15.0 11.5
18.0 2.3
26.0 5.0
27.0 17.9
28.0 58.3
29.0 100.0
30.0 27.5
31.0 5.6
40.0 1.8
41.0 7.1
42.0 50.3
43.0 4.8
44.0 6.4
45.0 4.0
54.0 3.8
55.0 3.4
56.0 49.7
57.0 44.8
58.0 8.5
59.0 2.8
70.0 2.2
71.0 2.7
72.0 12.1
73.0 1.0
84.0 1.4
85.0 14.8
86.0 27.7
87.0 8.6
98.0 1.3
100.0 32.0
101.0 1.4
114.0 2.8
115.0 66.5
116.0 4.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C5 H9 N O2
|
0.05 ml : 0.5 ml CDCl3
|
| 4-morpholinecarbaldehyde
|
 |
Assign. Shift(ppm)
A 8.058
B 3.694
C 3.651
D 3.556
E 3.419
ASSIGNED BY H-H AND C-H COSY.
|
Hz ppm Int.
3220.34 8.058 677
1491.94 3.734 36
1490.97 3.731 42
1481.08 3.706 933
1478.76 3.701 273
1476.32 3.695 921
1475.10 3.691 476
1473.39 3.687 269
1471.31 3.682 1000
1464.36 3.665 521
1461.55 3.658 211
1459.84 3.653 814
1456.42 3.645 215
1454.59 3.640 817
1434.69 3.590 46
1425.05 3.566 753
1419.80 3.553 699
1415.16 3.541 409
1371.09 3.431 771
1369.02 3.426 219
1367.19 3.421 455
1366.09 3.419 705
1363.77 3.413 201
1361.45 3.407 619
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| 1H NMR |
89.56 MHz |
| C5 H9 N O2
|
0.04 ml : 0.5 ml CDCl3
|
| 4-morpholinecarbaldehyde
|
|
Assign. Shift(ppm)
A 8.06
B 3.80 to 3.31
400MHZ : HSP-40-455
|
Hz ppm Int.
722.25 8.065 432
337.25 3.766 264
336.38 3.756 300
332.69 3.715 592
332.00 3.708 417
330.56 3.691 338
329.44 3.679 287
329.00 3.674 287
327.56 3.658 718
325.56 3.636 1000
323.31 3.610 919
321.00 3.585 369
319.38 3.567 193
319.00 3.562 180
315.56 3.524 178
310.25 3.465 337
309.25 3.453 365
306.13 3.419 238
304.00 3.395 421
300.00 3.350 221