3-METHYLGLUTARIC ANHYDRIDE(4166-53-4) IR1
Product Name3-METHYLGLUTARIC ANHYDRIDE
CAS4166-53-4
Molecular FormulaC6H8O3
Molecular Weight128.13
InChIInChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3
InChIKey MGICRVTUCPFQQZ-UHFFFAOYSA-N
SmilesC1(=O)OC(=O)CC(C)C1
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MassMS-NW-8818 3-methylglutaric anhydride C6H8O3 (Mass of molecular ion: 128)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.1 15.0 2.1 26.0 1.9 27.0 10.2 28.0 7.0 29.0 4.1 37.0 1.0 38.0 2.7 39.0 19.0 40.0 6.7 41.0 38.9 42.0 100.0 43.0 16.7 50.0 1.0 51.0 1.0 53.0 1.2 55.0 3.7 56.0 91.8 57.0 3.5 69.0 1.0 84.0 9.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H8 O3 0.040 g : 0.5 ml CDCl3 3-methylglutaric anhydride 
Assign. Shift(ppm)
A 2.866 B 2.418 C 2.33 D 1.143
Hz ppm Int.1157.71 2.897 58 1156.25 2.894 240 1151.98 2.883 303 1150.51 2.879 76 1140.50 2.854 83 1139.16 2.851 300 1136.60 2.844 90 1134.89 2.840 268 1133.06 2.836 60 982.18 2.458 157 981.08 2.455 147 973.14 2.435 85 971.92 2.432 244 971.31 2.431 243 965.70 2.417 82 964.84 2.415 62 963.13 2.410 83 955.08 2.390 231 954.22 2.388 217 953.00 2.385 70 945.31 2.366 34 944.58 2.364 31 944.34 2.363 31 943.97 2.362 31 943.48 2.361 31 942.50 2.359 31 942.02 2.358 31 939.21 2.351 61 936.77 2.344 41 935.18 2.340 56 932.74 2.334 62 929.32 2.326 68 928.59 2.324 61 926.27 2.318 45 922.85 2.310 66 919.43 2.301 44 912.96 2.285 31 460.08 1.152 1000 457.15 1.144 48 456.05 1.142 53 453.61 1.136 979
in CDCl3
KBr disc
