N,N-DIMETHYLAMINOMETHYLENEMALONIC ACID DIMETHYL ESTER(18856-69-4) IR2
Product NameN,N-DIMETHYLAMINOMETHYLENEMALONIC ACID DIMETHYL ESTER
CAS18856-69-4
Molecular FormulaC8H13NO4
Molecular Weight187.19
InChIInChI=1S/C8H13NO4/c1-9(2)5-6(7(10)12-3)8(11)13-4/h5H,1-4H3
InChIKey XGBHOLSNBZBTQK-UHFFFAOYSA-N
SmilesC(OC)(=O)/C(=C\N(C)C)/C(OC)=O
-
MassMS-IW-3621 dimethyl ((dimethylamino)methylene)malonate C8H13NO4 (Mass of molecular ion: 187)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 8.2 18.0 1.0 27.0 2.0 28.0 4.1 29.0 1.4 39.0 1.3 41.0 8.1 42.0 33.7 43.0 23.7 44.0 7.5 45.0 20.8 52.0 1.2 53.0 7.4 54.0 1.5 55.0 6.0 59.0 6.5 67.0 2.7 68.0 14.1 69.0 19.6 70.0 3.6 72.0 7.0 81.0 1.7 82.0 3.9 83.0 5.2 84.0 1.4 85.0 2.1 87.0 2.5 88.0 14.2 95.0 1.7 96.0 7.6 97.0 24.1 98.0 11.5 99.0 1.5 100.0 1.3 112.0 3.0 113.0 5.3 114.0 1.7 124.0 89.9 125.0 17.3 126.0 6.6 127.0 1.7 128.0 14.8 129.0 1.3 140.0 6.8 142.0 2.6 155.0 41.9 156.0 100.0 157.0 8.5 187.0 45.5 188.0 4.5
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H13 N O4 0.047 g : 0.5 ml CDCl3 dimethyl ((dimethylamino)methylene)malonate 
Assign. Shift(ppm)
A 7.557 B *1 3.774 C *1 3.703 D 3.01
Hz ppm Int.3020.14 7.557 1000 1508.42 3.775 574 1480.10 3.704 571 1203.13 3.011 311
in CDCl3
KBr disc
nujol mull
