Dimethyl (R)-(+)-methylsuccinate(22644-27-5) MS
Product NameDimethyl (R)-(+)-methylsuccinate
CAS22644-27-5
Molecular FormulaC7H12O4
Molecular Weight160.17
InChIInChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m1/s1
InChIKey NFOQJNGQQXICBY-RXMQYKEDSA-N
SmilesC(OC)(=O)[C@H](C)CC(OC)=O
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MassMS-IW-9045 dimethyl (R)-methylsuccinate C7H12O4 (Mass of molecular ion: 160)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 14.7 27.0 3.7 28.0 2.6 29.0 6.5 31.0 1.8 39.0 6.1 40.0 1.6 41.0 16.3 42.0 9.3 43.0 5.6 45.0 2.0 55.0 6.2 56.0 1.7 58.0 1.7 59.0 100.0 60.0 3.1 69.0 14.5 70.0 1.3 72.0 1.5 74.0 6.1 85.0 1.5 87.0 13.0 99.0 1.5 100.0 19.7 101.0 22.2 102.0 1.3 128.0 25.8 129.0 41.5 130.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 O4 0.05 ml : 0.5 ml CDCl3 dimethyl (R)-methylsuccinate 
Assign. Shift(ppm)
A *1 3.701 B *1 3.683 C 2.927 D *2 2.744 E *2 2.425 G 1.226
Hz ppm Int.1479.25 3.702 1000 1472.05 3.684 909 1180.79 2.955 43 1174.68 2.940 53 1173.58 2.937 64 1172.73 2.935 59 1167.48 2.922 57 1166.63 2.920 72 1165.53 2.917 60 1159.42 2.902 56 1109.62 2.777 113 1101.56 2.757 87 1093.14 2.736 137 1084.96 2.715 116 979.49 2.451 127 973.39 2.436 121 962.89 2.410 101 956.79 2.395 95 493.77 1.236 639 491.21 1.230 50 486.57 1.218 629
in CDCl3
liquid film
