Diethyl isopropylidenemalonate(6802-75-1) IR1
Product NameDiethyl isopropylidenemalonate
CAS6802-75-1
Molecular FormulaC10H16O4
Molecular Weight200.23
InChIInChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3
InChIKey WEISAZNMMVPNTH-UHFFFAOYSA-N
SmilesC(OCC)(=O)/C(=C(\C)/C)/C(OCC)=O
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MassMS2014-05073CW diethyl isopropylidenemalonate C10H16O4 (Mass of molecular ion: 200)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 8.7 28.0 13.1 29.0 16.9 31.0 1.2 32.0 3.3 39.0 6.9 41.0 3.9 43.0 4.5 45.0 1.3 51.0 1.4 53.0 5.1 54.0 2.5 55.0 4.5 59.0 4.1 66.0 1.6 67.0 21.9 68.0 1.4 69.0 5.9 70.0 2.5 82.0 16.0 83.0 6.4 85.0 1.9 87.0 3.6 97.0 2.8 98.0 15.7 99.0 100.0 100.0 7.3 108.0 1.5 109.0 36.9 110.0 2.6 111.0 1.7 125.0 4.0 126.0 6.5 127.0 16.8 128.0 1.3 154.0 68.0 155.0 84.6 156.0 7.5 157.0 1.0 200.0 3.7
in CDCl3
parameter in CDCl3
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1H NMR 300 MHz C10 H16 O4 0.05 ml : 0.5 ml CDCl3 diethyl isopropylidenemalonate 
Parameter ppm Hz
D(A) 4.239 D(B) 1.294 J(A,B) 7.76 D(C) 2.069
Hz ppm Int.1283.40 4.278 81 1275.64 4.252 244 1267.87 4.226 248 1260.13 4.200 84 620.69 2.069 1000 395.93 1.320 253 388.19 1.294 498 380.42 1.268 243
in CDCl3
liquid film
4880 A,200 M,liquid
