(R)-(+)-2-METHYLGLUTARIC ACID(1115-81-7) IR2
Product Name(R)-(+)-2-METHYLGLUTARIC ACID
CAS1115-81-7
Molecular FormulaC6H10O4
Molecular Weight146.14
InChIInChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1
InChIKey AQYCMVICBNBXNA-SCSAIBSYSA-N
SmilesC(O)(=O)[C@H](C)CCC(O)=O
-
MassMS-IW-9073 (R)-(-)-2-methylglutaric acid C6H10O4 (Mass of molecular ion: 146)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.5 17.0 3.5 18.0 18.3 26.0 4.6 27.0 22.8 28.0 27.1 29.0 21.4 30.0 1.7 31.0 4.8 38.0 1.6 39.0 14.9 40.0 3.2 41.0 38.3 42.0 47.5 43.0 27.6 44.0 2.0 45.0 21.0 50.0 1.4 51.0 1.5 53.0 4.3 54.0 6.5 55.0 67.4 56.0 100.0 57.0 8.6 58.0 7.0 59.0 14.3 60.0 33.2 61.0 1.6 69.0 23.9 70.0 1.2 71.0 1.5 72.0 3.9 73.0 14.1 74.0 22.2 82.0 4.6 83.0 14.1 84.0 11.0 85.0 8.5 86.0 1.2 87.0 10.4 99.0 2.0 100.0 84.0 101.0 10.2 102.0 2.3 128.0 20.1 129.0 5.7
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H10 O4 0.039 g : 0.5 ml DMSO-d6 (R)-(-)-2-methylglutaric acid 
Assign. Shift(ppm)
A 12.1 B 2.348 C 2.24 D *1 1.762 E *1 1.581 F 1.060
Hz ppm Int.4839.07 12.109 81 949.54 2.376 74 942.57 2.359 128 935.61 2.342 135 928.47 2.324 84 897.70 2.247 165 896.23 2.243 160 890.56 2.229 221 888.91 2.225 344 882.13 2.208 203 881.03 2.205 194 723.87 1.812 40 716.18 1.793 93 710.14 1.777 76 708.85 1.774 91 702.26 1.758 121 695.30 1.740 99 694.57 1.738 87 687.42 1.721 44 649.51 1.626 51 642.55 1.608 87 641.08 1.605 59 635.95 1.592 111 634.67 1.589 81 628.44 1.573 81 627.53 1.571 92 622.22 1.557 58 621.30 1.555 51 620.38 1.553 44 613.97 1.537 31 427.69 1.071 1000 420.55 1.053 992
in DMSO-d6
KBr disc
nujol mull
