呋喃甲酰氯(527-69-5)紅外圖譜(IR1)
InChI:InChI=1S/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H
InChIKey: OFTKFKYVSBNYEC-UHFFFAOYSA-N
Smiles:C(Cl)(C1=CC=CO1)=O
-
Mass
MS-NW-4738
2-furoyl chloride
C5H3ClO2 (Mass of molecular ion: 130)
Source Temperature: 220 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
26.0 1.2
28.0 3.1
29.0 3.4
33.5 1.4
35.0 1.0
36.0 2.0
37.0 8.8
38.0 14.4
39.0 40.7
40.0 1.4
41.0 2.1
47.5 1.2
51.0 2.2
53.0 1.9
66.0 1.6
67.0 6.7
73.0 1.6
95.0 100.0
96.0 5.6
102.0 3.6
104.0 1.1
130.0 16.0
132.0 5.2
parameter neat
parameter in CDCl3
-
| 1H NMR |
300 MHz |
| C5 H3 Cl O2
|
neat
|
| 2-furoyl chloride
|
 |
Parameter ppm Hz
D(A) 7.88
D(B) 6.70
D(C) 7.52
J(A,B) 1.70
J(A,C) 0.79
J(B,C) 3.79
ABRAHAM,R.J. & BERNSTEIN,H.J. CAN.J.CHEM. 39, 905 (1961)
|
Hz ppm Int.
2365.22 7.884 907
2364.47 7.882 1000
2363.55 7.878 999
2362.79 7.876 924
2258.28 7.528 867
2257.55 7.525 865
2254.49 7.515 900
2253.76 7.513 885
2012.72 6.709 787
2011.04 6.703 799
2008.93 6.696 782
2007.24 6.691 757
-
| 1H NMR |
300 MHz |
| C5 H3 Cl O2
|
0.04 ml : 0.5 ml CDCl3
|
| 2-furoyl chloride
|
|
Parameter ppm Hz
D(A) 7.766
D(B) 7.503
D(C) 6.651
J(A,B) 0.87
J(A,C) 1.75
J(B,C) 3.69
|
Hz ppm Int.
2331.09 7.770 890
2330.24 7.767 1000
2329.38 7.765 995
2328.53 7.762 913
2253.17 7.511 860
2252.34 7.508 854
2249.49 7.498 892
2248.67 7.496 871
1998.00 6.660 794
1996.27 6.654 809
1994.31 6.648 795
1992.58 6.642 765