BENZYL METHYL MALONATE(52267-39-7) 1H NMR
Product NameBENZYL METHYL MALONATE
CAS52267-39-7
Molecular FormulaC11H12O4
Molecular Weight208.21
InChIInChI=1S/C11H12O4/c1-14-10(12)7-11(13)15-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey IAUZDBFOEWAQFE-UHFFFAOYSA-N
SmilesC(OC)(=O)CC(OCC1=CC=CC=C1)=O
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MassMS-IW-1790 benzyl methyl malonate C11H12O4 (Mass of molecular ion: 208)
Source Temperature: 270 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 4.5 27.0 1.5 28.0 1.4 29.0 2.8 31.0 1.2 39.0 6.0 41.0 2.0 42.0 5.6 43.0 9.6 44.0 1.1 50.0 2.3 51.0 7.0 52.0 2.0 57.0 3.9 59.0 16.2 63.0 3.4 64.0 1.1 65.0 12.4 69.0 3.0 74.0 20.8 75.0 2.0 77.0 11.1 78.0 3.1 79.0 19.6 80.0 1.7 87.0 1.0 88.5 1.1 89.0 7.2 90.0 18.9 91.0 81.6 92.0 6.7 101.0 9.9 105.0 10.6 106.0 4.7 107.0 100.0 108.0 46.5 109.0 3.5 120.0 2.3 148.0 1.0 180.0 8.3 208.0 13.0 209.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H12 O4 0.05 ml : 0.5 ml CDCl3 benzyl methyl malonate 
Assign. Shift(ppm)
A 7.34 B 7.33 C 7.31 D 5.157 E 3.693 F 3.405
Hz ppm Int.2938.35 7.353 72 2937.13 7.350 149 2936.04 7.347 201 2934.57 7.343 237 2931.64 7.336 822 2928.59 7.328 134 2926.88 7.324 155 2924.56 7.318 108 2922.00 7.312 91 2918.33 7.303 70 2916.75 7.299 48 2061.40 5.159 638 2055.30 5.143 33 1476.32 3.695 1000 1364.38 3.414 32 1361.08 3.406 725 1357.06 3.396 34
in CDCl3
liquid film
