(R)-(-)-4-METHYLGLUTARIC ACID 1-MONOMETHYL ESTER(80986-17-0) MS
Product Name(R)-(-)-4-METHYLGLUTARIC ACID 1-MONOMETHYL ESTER
CAS80986-17-0
Molecular FormulaC7H12O4
Molecular Weight160.17
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MassMS-IW-9055 5-methyl hydrogen (R)-2-methylglutarate C7H12O4 (Mass of molecular ion: 160)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 17.2 18.0 1.8 26.0 2.9 27.0 22.2 28.0 17.5 29.0 24.3 30.0 1.5 31.0 9.6 32.0 3.2 33.0 1.6 38.0 1.0 39.0 13.6 40.0 2.3 41.0 26.6 42.0 21.6 43.0 46.7 44.0 3.2 45.0 20.3 51.0 1.3 53.0 4.9 54.0 8.2 55.0 100.0 56.0 46.6 57.0 11.0 58.0 2.3 59.0 48.5 60.0 2.7 68.0 1.2 69.0 14.5 71.0 2.2 72.0 7.5 73.0 20.3 74.0 42.1 75.0 1.7 81.0 1.4 82.0 9.6 83.0 36.6 84.0 3.9 85.0 7.0 86.0 1.2 87.0 43.5 88.0 5.2 99.0 17.5 100.0 36.7 101.0 42.2 102.0 2.5 110.0 1.1 113.0 1.5 114.0 65.0 115.0 8.4 116.0 1.1 128.0 19.9 129.0 38.3 130.0 2.7 142.0 5.7 143.0 4.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 O4 0.05 ml : 0.5 ml CDCl3 5-methyl hydrogen (R)-2-methylglutarate 
Assign. Shift(ppm)
A 11.3 B 3.683 C 2.533 D 2.41 E *1 1.999 F *1 1.814 G 1.222
Hz ppm Int.1472.29 3.684 1000 1023.72 2.562 41 1016.76 2.545 63 1009.80 2.527 65 1002.65 2.509 45 972.25 2.433 86 968.95 2.425 85 965.47 2.416 103 963.64 2.412 116 961.62 2.407 127 960.89 2.405 121 956.68 2.394 98 953.56 2.386 96 810.69 2.029 33 809.78 2.027 50 803.73 2.012 47 802.82 2.009 53 801.72 2.007 38 796.96 1.995 46 795.68 1.991 74 788.90 1.974 60 787.62 1.971 44 741.27 1.855 32 735.23 1.840 42 734.31 1.838 47 732.67 1.834 38 728.27 1.823 49 726.80 1.819 52 725.71 1.816 43 721.31 1.805 36 719.84 1.802 52 714.35 1.788 31 712.88 1.784 30 491.80 1.231 533 484.84 1.214 513
in CDCl3
liquid film
