1-硝基丙烷(108-03-2)紅外圖譜(IR2)
InChI:InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
InChIKey: JSZOAYXJRCEYSX-UHFFFAOYSA-N
Smiles:C([N+]([O-])=O)CC
-
Mass
MS-NW-4918
1-nitropropane
C3H7NO2 (Mass of molecular ion: 89)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 4.1
18.0 3.1
26.0 4.8
27.0 71.5
28.0 6.6
29.0 5.0
30.0 8.3
31.0 3.0
37.0 1.2
38.0 2.3
39.0 19.3
40.0 3.8
41.0 79.3
42.0 16.1
43.0 100.0
44.0 3.7
46.0 2.3
54.0 2.1
57.0 1.3
61.0 1.1
72.0 1.0
90 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
89.56 MHz |
| C3 H7 N O2
|
0.05 ml : 0.5 ml CDCl3
|
| 1-nitropropane
|
 |
Assign. Shift(ppm)
A 4.361
B 2.033
C 1.029
|
Hz ppm Int.
397.63 4.440 361
390.75 4.363 742
387.19 4.324 27
383.88 4.287 415
201.19 2.247 23
193.81 2.165 109
186.81 2.086 209
184.13 2.056 32
183.13 2.045 28
179.50 2.005 230
172.50 1.927 144
165.69 1.851 37
165.19 1.845 37
99.13 1.107 509
96.13 1.074 46
92.06 1.028 1000
91.50 1.022 720
87.44 0.977 37
84.38 0.943 368
83.75 0.936 226
-
| 1H NMR |
300 MHz |
| C3 H7 N O2
|
in CCl4
|
| 1-nitropropane
|
|
Parameter ppm Hz
D(A) 4.28
D(B) 2.02
D(C) 1.03
J(A,B) 6.8
J(A,C) 0.0
J(B,C) 7.5
CAVANAUGH,J.R. & DAILEY,B.P. J.CHEM.PHYS. 34, 1094 (1961)
|
Hz ppm Int.
1290.84 4.303 349
1284.04 4.280 712
1277.25 4.257 363
624.15 2.080 40
616.71 2.056 143
609.82 2.033 280
602.38 2.008 287
595.49 1.985 147
588.08 1.960 45
316.42 1.055 513
308.92 1.030 1000
301.42 1.005 458
ANION RADICAL, ELECTROLYTIC REDUCTION IN H2O