3-METHYLGLUTARIC ACID(626-51-7) IR2
Product Name3-METHYLGLUTARIC ACID
CAS626-51-7
Molecular FormulaC6H10O4
Molecular Weight146.14
InChIInChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey XJMMNTGIMDZPMU-UHFFFAOYSA-N
SmilesC(O)(=O)CC(C)CC(O)=O
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MassMS-NW-2262 3-methylglutaric acid C6H10O4 (Mass of molecular ion: 146)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
14.0 1.6 15.0 4.0 17.0 3.2 18.0 15.9 26.0 2.4 27.0 24.3 28.0 5.6 29.0 17.4 31.0 6.6 37.0 1.4 38.0 3.4 39.0 28.6 40.0 5.6 41.0 63.4 42.0 48.8 43.0 48.7 44.0 2.2 45.0 31.2 50.0 1.4 51.0 1.4 53.0 3.5 54.0 5.7 55.0 17.2 56.0 20.9 57.0 11.1 58.0 9.5 59.0 12.9 60.0 55.9 61.0 1.9 68.0 2.8 69.0 84.3 70.0 3.8 71.0 4.5 72.0 41.4 73.0 2.1 82.0 7.1 83.0 3.0 84.0 5.0 85.0 9.5 86.0 2.2 87.0 60.7 88.0 2.6 89.0 1.0 95.0 1.0 99.0 2.2 100.0 100.0 101.0 7.0 102.0 1.4 113.0 5.0 127.0 1.0 128.0 19.3 129.0 4.8
in CDCl3
CCl4 solution
KBr disc
nujol mull
