Acetonitrile
Product Name
Acetonitrile
CAS75-05-8
MFC2H3N
MW41.05
InChIInChI=1S/C2H3N/c1-2-3/h1H3
InChIKeyWEVYAHXRMPXWCK-UHFFFAOYSA-N
SmilesC(#N)C
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Mass
MS-NW-4393
acetonitrile
C2H3N (Mass of molecular ion: 41)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
12.0 1.5
13.0 1.0
14.0 5.5
15.0 1.1
25.0 1.3
26.0 1.6
27.0 1.0
28.0 2.2
38.0 9.3
39.0 17.7
40.0 50.4
41.0 100.0
42.0 2.7
parameter in CDCl3
in CD3CN
in DMSO-d6
in CDCl3
in CD3OD
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1H NMR |
300 MHz |
C2 H3 N
|
0.04 ml : 0.5 ml CDCl3
|
acetonitrile
|
|
Parameter ppm Hz
D(A) 2.006
|
Hz ppm Int.
601.80 2.006 1000
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in DMSO-d6
in CD3OD
in CD3CN
in CDCl3
UV PHOTOLYSIS IN H2O AND H2O2, 29C
Acetonitrile (75-05-8)Raman Atlas of Related Products