Product Name2'-CHLORO-4'-FLUOROACETANILIDE
CAS399-35-9
Molecular FormulaC8H7ClFNO
Molecular Weight187.6
InChIInChI=1S/C8H7ClFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
InChIKey ZULZFLOGABTQFR-UHFFFAOYSA-N
SmilesC(NC1=CC=C(F)C=C1Cl)(=O)C
Mass
MS-IW-5096 2'-chloro-4'-fluoroacetanilide C8H7ClFNO (Mass of molecular ion: 187)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.2 43.0 23.4 57.0 2.0 63.0 1.2 81.0 2.0 82.0 3.3 83.0 4.0 108.0 2.2 109.0 4.4 110.0 3.9 117.0 4.5 118.0 1.8 119.0 1.5 144.0 1.5 145.0 100.0 146.0 7.5 147.0 32.1 148.0 2.2 152.0 13.8 153.0 1.3 187.0 19.8 188.0 2.2 189.0 6.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C8 H7 Cl F N O | 0.041 g : 0.5 ml CDCl3 |
2'-chloro-4'-fluoroacetanilide |
Assign. Shift(ppm) |
Hz ppm Int.
3307.01 8.275 79 3301.27 8.261 88 3297.85 8.252 90 3292.11 8.238 83 3029.42 7.581 44 2849.98 7.132 106 2847.17 7.125 120 2842.04 7.112 110 2839.11 7.104 118 2802.12 7.012 72 2799.32 7.005 68 2794.19 6.992 87 2792.97 6.989 93 2791.38 6.985 87 2790.28 6.982 82 2785.16 6.969 72 2782.23 6.962 65 890.99 2.230 1000
in CDCl3
KBr disc
nujol mull
2'-CHLORO-4'-FLUOROACETANILIDE(399-35-9) IR1 Atlas of Related Products
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