DIBENZYL MALONATE(15014-25-2) IR1
Product NameDIBENZYL MALONATE
CAS15014-25-2
Molecular FormulaC17H16O4
Molecular Weight284.31
InChIInChI=1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKey RYFCSKVXWRJEOB-UHFFFAOYSA-N
SmilesC(OCC1=CC=CC=C1)(=O)CC(OCC1=CC=CC=C1)=O
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MassMS-NW-6457 dibenzyl malonate C17H16O4 (Mass of molecular ion: 284)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.1 27.0 1.1 28.0 1.1 39.0 4.5 41.0 1.3 42.0 1.6 43.0 3.7 44.0 2.3 50.0 1.8 51.0 5.1 52.0 1.5 63.0 2.2 65.0 8.9 77.0 8.7 78.0 2.3 79.0 16.8 80.0 1.5 87.0 6.5 89.0 2.9 90.0 5.6 91.0 68.3 92.0 11.2 105.0 2.4 106.0 1.1 107.0 100.0 108.0 22.3 109.0 1.6 118.0 2.8 150.0 1.2 180.0 4.2 193.0 12.3 194.0 1.5
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C17 H16 O4 0.05 ml : 0.5 ml CDCl3 dibenzyl malonate 
Assign. Shift(ppm)
A 7.50 B 5.332 C 3.618
Hz ppm Int.671.63 7.500 1000 477.56 5.333 362 324.06 3.619 259
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1H NMR 399.65 MHz C17 H16 O4 0.05 ml : 0.5 ml CDCl3 dibenzyl malonate Assign. Shift(ppm)
A 7.30 B 5.131 C 3.426
Hz ppm Int.2931.88 7.337 36 2931.15 7.335 39 2930.79 7.334 38 2929.93 7.332 47 2928.71 7.329 57 2928.22 7.327 55 2925.78 7.321 115 2923.83 7.316 80 2922.49 7.313 95 2920.41 7.308 245 2918.58 7.303 323 2916.87 7.299 1000 2916.14 7.297 924 2910.89 7.284 124 2910.16 7.282 102 2908.69 7.279 108 2905.03 7.269 34 2904.54 7.268 34 2902.83 7.264 36 2050.42 5.131 778 1369.38 3.427 626
in CDCl3
liquid film
4880 A,200 M,liquid
