MONO-METHYL GLUTARATE(1501-27-5) Raman
Product NameMONO-METHYL GLUTARATE
CAS1501-27-5
Molecular FormulaC6H10O4
Molecular Weight146.14
InChIInChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKey IBMRTYCHDPMBFN-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCC(O)=O
-
MassMS-NW-6448 methyl hydrogen glutarate C6H10O4 (Mass of molecular ion: 146)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 2.8 15.0 38.0 18.0 3.7 26.0 3.8 27.0 30.3 28.0 10.5 29.0 9.7 30.0 1.6 31.0 14.2 32.0 1.9 33.0 3.2 35.0 2.2 37.0 1.6 38.0 3.6 39.0 22.4 40.0 5.5 41.0 51.5 42.0 59.6 43.0 100.0 44.0 6.7 45.0 54.3 46.0 1.4 49.0 2.3 55.0 67.0 56.0 3.4 57.0 2.2 58.0 19.3 59.0 55.6 60.0 9.8 61.0 1.0 68.0 4.9 69.0 7.0 70.0 7.9 71.0 1.6 72.0 5.3 73.0 4.9 74.0 30.3 75.0 1.4 85.0 7.0 86.0 52.8 87.0 82.6 88.0 4.7 97.0 7.9 98.0 1.3 99.0 1.6 100.0 81.1 101.0 10.7 102.0 1.1 114.0 41.0 115.0 67.7 116.0 4.5 128.0 9.8 129.0 6.9
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H10 O4 0.05 ml : 0.5 ml CDCl3 methyl hydrogen glutarate 
Assign. Shift(ppm)
A 11.68 B 3.687 C 2.43 D 1.98
Hz ppm Int.1046.50 11.685 246 330.18 3.687 1000 227.04 2.536 59 225.93 2.523 75 224.13 2.503 85 218.66 2.442 225 217.04 2.424 193 214.56 2.396 77 212.60 2.374 163 210.55 2.351 141 189.44 2.116 35 187.48 2.094 39 182.52 2.038 82 181.58 2.028 91 177.73 1.985 32 175.26 1.957 94 174.57 1.950 93 170.90 1.909 24 168.16 1.878 52 167.22 1.868 46
in CDCl3
liquid film
4880 A,200 M,liquid
