Ammonium citrate dibasic(3012-65-5) 13C NMR
Product NameAmmonium citrate dibasic
CAS3012-65-5
Molecular FormulaC6H14N2O7
Molecular Weight226.18
InChIInChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3
InChIKey YXVFQADLFFNVDS-UHFFFAOYSA-N
SmilesC(O)(C(=O)O)(CC(=O)O)CC(=O)O.N.N
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MassMS-NW-8907 diammonium hydrogen citrate C6H14N2O7 (Mass of molecular ion: 226)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
14.0 1.8 15.0 7.9 16.0 3.6 17.0 8.0 18.0 27.5 19.0 1.8 26.0 1.5 27.0 5.8 28.0 14.8 29.0 9.3 31.0 6.5 37.0 1.6 38.0 3.6 39.0 19.4 40.0 13.5 41.0 4.6 42.0 65.0 43.0 85.1 44.0 28.6 45.0 22.0 46.0 1.0 53.0 1.4 55.0 3.4 56.0 45.5 57.0 4.9 58.0 3.8 59.0 1.4 60.0 46.6 61.0 4.1 67.0 2.0 68.0 5.3 69.0 18.3 70.0 1.0 71.0 1.7 74.0 1.6 81.0 1.6 84.0 74.1 85.0 5.4 86.0 2.5 87.0 63.7 88.0 2.4 98.0 1.1 102.0 52.9 103.0 2.5 105.0 1.0 111.0 39.5 112.0 8.3 113.0 1.2 115.0 4.2 128.0 1.1 129.0 100.0 130.0 6.8 131.0 1.1 133.0 1.1 138.0 1.5 139.0 3.6 147.0 18.7 148.0 1.1 157.0 1.2 175.0 1.2
90 MHz in D2O
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1H NMR 89.56 MHz C6 H14 N2 O7 0.049 g : 0.5 ml D2O diammonium hydrogen citrate 
Assign. Shift(ppm)
B *1 2.74 C *1 2.68 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.259.00 2.892 94 243.88 2.724 931 241.13 2.693 1000 226.00 2.524 103
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
