2-Fluorobenzaldehyde(446-52-6) MS
Product Name2-Fluorobenzaldehyde
CAS446-52-6
Molecular FormulaC7H5FO
Molecular Weight124.11
InChIInChI=1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKey ZWDVQMVZZYIAHO-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC=C1F
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MassMS-NW-6073 o-fluorobenzaldehyde C7H5FO (Mass of molecular ion: 124)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 1.5 29.0 3.8 31.0 1.8 37.0 2.6 38.0 2.0 39.0 3.8 49.0 1.7 50.0 12.5 51.0 6.0 57.0 3.0 61.0 2.0 62.0 2.3 63.0 2.7 68.0 4.3 69.0 6.0 70.0 9.0 73.0 1.3 74.0 6.1 75.0 20.7 76.0 5.3 77.0 1.1 81.0 1.0 92.0 1.0 93.0 1.3 94.0 3.6 95.0 51.3 96.0 12.8 123.0 100.0 124.0 82.5 125.0 6.9
parameter in CCl4
400 MHz in CDCl3
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1H NMR 300 MHz C7 H5 F O 10 wt% in CCl4 o-fluorobenzaldehyde 
Parameter ppm Hz
D(A) 7.13 D(B) 7.56 D(C) 7.23 D(D) 7.86 D(X) -9.28 J(A,B) 8.40 J(A,C) 1.00 J(A,D) 0.42 J(A,X) 10.37 J(B,C) 7.38 J(B,D) 1.19 J(B,X) 5.36 J(C,D) 7.76 J(C,X) -0.19 J(D,X) 6.98 D(E) 10.33 SMITH,W.B. ET AL. J.AM.CHEM.SOC. 94, 1959 (1972) F-19 REFERENCE : 1,1,2,2-TETRACHLORO-3,3,4,4-TETRAFLUOROCYCLOBUTANE
Hz ppm Int.3099.00 10.330 1000 2365.93 7.886 105 2364.99 7.883 107 2358.18 7.861 222 2350.61 7.835 134 2279.44 7.598 61 2278.26 7.594 60 2273.81 7.579 76 2272.72 7.576 88 2272.08 7.574 96 2270.96 7.570 133 2269.87 7.566 81 2266.39 7.555 87 2265.48 7.552 141 2264.36 7.548 94 2263.70 7.546 100 2262.49 7.542 83 2258.04 7.527 75 2257.13 7.524 81 2176.87 7.256 133 2175.96 7.253 134 2169.15 7.230 233 2168.18 7.227 212 2161.77 7.206 108 2160.74 7.202 122 2148.57 7.162 130 2147.93 7.160 123 2140.18 7.134 119 2138.76 7.129 145 2137.79 7.126 119 2129.98 7.100 118 2129.34 7.098 108
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1H NMR 399.65 MHz C7 H5 F O 0.05 ml : 0.5 ml CDCl3 o-fluorobenzaldehyde Assign. Shift(ppm)
A 10.351 B 7.880 C 7.612 D 7.269 E 7.170
Hz ppm Int.4137.11 10.352 1000 3149.87 7.882 225 3148.04 7.877 218 3142.40 7.863 322 3140.72 7.859 297 3135.07 7.845 238 3133.24 7.840 227 3053.89 7.642 145 3052.06 7.637 138 3048.55 7.629 163 3046.57 7.624 301 3045.50 7.621 197 3044.74 7.619 182 3043.67 7.616 165 3041.23 7.610 194 3040.16 7.608 202 3039.25 7.605 206 3038.18 7.603 303 3036.35 7.598 163 3032.84 7.589 176 3030.85 7.584 160 2913.36 7.290 225 2912.45 7.288 296 2911.53 7.286 180 2904.97 7.269 457 2898.25 7.252 206 2897.34 7.250 265 2896.42 7.248 161 2875.52 7.196 274 2874.60 7.193 239 2869.87 7.181 43 2866.97 7.174 278 2866.06 7.172 275 2864.99 7.169 289 2864.07 7.167 253 2856.60 7.148 249 2855.68 7.146 226 0.00 0.001 178
in CDCl3
liquid film
4880 A,200 M,liquid
