DIPHENYLACETALDEHYDE(947-91-1) 1H NMR
Product NameDIPHENYLACETALDEHYDE
CAS947-91-1
Molecular FormulaC14H12O
Molecular Weight196.25
InChIInChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H
InChIKey HLLGFGBLKOIZOM-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)(C1C=CC=CC=1)C=O
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MassMS-KW-0947 diphenylacetaldehyde C14H12O (Mass of molecular ion: 196)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 3.4 50.0 1.5 51.0 4.2 62.0 1.0 63.0 3.4 65.0 2.3 69.5 1.3 75.0 1.1 76.0 3.0 77.0 7.4 82.0 2.9 82.5 3.8 83.0 3.3 89.0 3.1 91.0 2.1 105.0 15.3 106.0 1.2 115.0 3.0 128.0 2.1 139.0 2.3 151.0 2.5 152.0 19.9 153.0 3.5 163.0 2.0 164.0 2.9 165.0 31.3 166.0 12.3 167.0 100.0 168.0 15.6 169.0 1.1 176.0 1.6 177.0 1.1 178.0 9.0 179.0 1.9 182.0 2.2 196.0 3.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H12 O 0.05 ml : 0.5 ml CDCl3 diphenylacetaldehyde 
Assign. Shift(ppm)
A 9.888 B 7.321 C 7.260 D 7.186 E 4.848
Hz ppm Int.3953.09 9.892 851 3950.65 9.886 880 2935.79 7.346 258 2934.42 7.343 469 2932.59 7.338 231 2929.08 7.330 297 2927.25 7.325 1000 2925.72 7.321 662 2921.30 7.310 417 2919.77 7.306 888 2919.16 7.305 630 2917.48 7.301 208 2908.78 7.279 265 2907.41 7.275 530 2906.19 7.272 351 2902.37 7.263 196 2900.24 7.257 538 2897.49 7.251 166 2894.13 7.242 133 2892.76 7.239 212 2891.39 7.235 125 2877.04 7.199 779 2876.43 7.198 710 2875.52 7.196 981 2874.91 7.194 992 2873.23 7.190 285 2872.77 7.189 277 2869.57 7.181 432 2868.80 7.179 603 2868.19 7.177 729 2867.28 7.175 611 2866.82 7.174 509 2864.99 7.169 132 2864.53 7.168 125 1938.48 4.851 302 1936.04 4.845 288
liquid film
4880 A,200 M,liquid
