Glutaric acid(110-94-1) 13C NMR
Product NameGlutaric acid
CAS110-94-1
Molecular FormulaC5H8O4
Molecular Weight132.11
InChIInChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKey JFCQEDHGNNZCLN-UHFFFAOYSA-N
SmilesC(O)(=O)CCCC(O)=O
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MassMS-NW-0235 glutaric acid C5H8O4 (Mass of molecular ion: 132)
Source Temperature: 170 °C Sample Temperature: 0 °C Direct, 75 eV
14.0 3.7 15.0 7.0 18.0 1.7 19.0 2.0 26.0 9.4 27.0 48.7 28.0 10.5 29.0 11.2 31.0 11.8 37.0 4.4 38.0 10.0 39.0 52.3 40.0 9.2 41.0 60.4 42.0 85.4 43.0 27.2 44.0 3.8 45.0 70.5 46.0 1.6 47.0 1.0 53.0 1.9 55.0 58.6 56.0 2.5 57.0 4.2 58.0 30.7 59.0 1.9 60.0 63.6 61.0 1.5 68.0 6.4 69.0 4.0 70.0 4.5 71.0 2.2 73.0 24.6 85.0 3.3 86.0 100.0 87.0 12.9 88.0 2.9 114.0 25.6 115.0 12.2
90 MHz in D2O
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1H NMR 89.56 MHz C5 H8 O4 0.058 g : 0.5 ml D2O glutaric acid 
Assign. Shift(ppm)
B 2.43 C 1.90 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.228.19 2.548 113 226.69 2.532 241 225.63 2.520 280 218.50 2.440 1000 215.69 2.409 129 214.88 2.400 117 212.13 2.369 539 211.50 2.362 498 183.06 2.044 99 181.31 2.025 100 179.31 2.003 35 179.00 1.999 36 178.56 1.994 37 176.13 1.967 238 175.13 1.956 239 173.69 1.940 109 172.75 1.929 99 170.69 1.906 63 167.88 1.875 253 164.94 1.842 74 163.31 1.824 50 162.94 1.820 49 161.38 1.802 132 160.56 1.793 139 158.75 1.773 48 158.31 1.768 51 158.19 1.767 51 154.13 1.721 38 152.19 1.700 32
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
TI(III) COMPLEX IN C6H6/C6H5(CH3), Q-BAND, 77K
TI(III) COMPLEX IN C6H6/C6H5(CH3), X-BAND, 77K
