Product NameDESYL CHLORIDE
CAS447-31-4
Molecular FormulaC14H11ClO
Molecular Weight230.69
InChIInChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
InChIKey RXDYOLRABMJTEF-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC=C1)C(Cl)C1=CC=CC=C1
Mass
MS-NW-8975 2-chloro-2-phenylacetophenone C14H11ClO (Mass of molecular ion: 230)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.2 18.0 7.1 36.0 1.4 51.0 3.3 77.0 22.2 78.0 1.5 89.0 2.3 90.0 2.5 105.0 100.0 106.0 7.8 125.0 2.1 152.0 1.2 165.0 2.4 167.0 1.6
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C14 H11 Cl O | 0.041 g : 0.5 ml CDCl3 |
2-chloro-2-phenylacetophenone |
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Assign. Shift(ppm) |
Hz ppm Int.
3185.06 7.970 45 3183.84 7.967 110 3182.01 7.962 504 3181.40 7.961 442 3180.79 7.959 643 3175.54 7.946 195 3173.58 7.941 713 3172.24 7.938 622 3169.31 7.931 47 3017.94 7.552 93 3016.72 7.549 180 3015.38 7.546 111 3011.23 7.535 126 3009.28 7.530 382 3007.45 7.526 157 3003.17 7.515 197 3001.83 7.512 333 3000.61 7.509 186 2993.29 7.490 349 2992.92 7.489 353 2991.33 7.485 486 2989.26 7.480 174 2986.33 7.473 303 2984.62 7.469 597 2983.64 7.466 573 2981.08 7.460 96 2972.05 7.437 130 2970.21 7.433 512 2968.63 7.429 241 2963.50 7.416 388 2962.16 7.412 682 2956.54 7.398 159 2954.83 7.394 358 2954.22 7.393 288 2953.25 7.390 130 2950.93 7.384 222 2948.73 7.379 239 2947.02 7.375 138 2944.82 7.369 134 2944.34 7.368 129 2942.87 7.364 432 2942.14 7.362 752 2940.67 7.359 283 2940.06 7.357 230 2936.40 7.348 270 2934.94 7.344 498 2934.33 7.343 454 2932.74 7.339 300 2931.15 7.335 507 2929.57 7.331 287 2927.00 7.324 143 2924.07 7.317 286 2916.87 7.299 95 2527.59 6.325 1000
in CDCl3
KBr disc
nujol mull
DESYL CHLORIDE(447-31-4) 1H NMR Atlas of Related Products
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