L-Malic acid(97-67-6) MS
Product NameL-Malic acid
CAS97-67-6
Molecular FormulaC4H6O5
Molecular Weight134.09
InChIInChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey BJEPYKJPYRNKOW-REOHCLBHSA-N
SmilesC(O)(=O)[C@@H](O)CC(O)=O
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MassMS-NW-0232 L-(-)-malic acid C4H6O5 (Mass of molecular ion: 134)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
14.0 4.4 15.0 13.2 17.0 1.4 18.0 3.9 19.0 17.9 25.0 1.8 26.0 8.2 27.0 24.2 28.0 4.9 29.0 32.4 30.0 2.1 31.0 3.6 41.0 3.3 42.0 30.9 43.0 100.0 44.0 23.4 45.0 37.4 46.0 2.9 47.0 10.9 53.0 3.1 54.0 1.9 55.0 9.5 60.0 12.3 69.0 2.8 71.0 71.7 72.0 18.7 73.0 1.8 88.0 3.7 89.0 54.6 90.0 5.8 99.0 1.4
90 MHz in D2O
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C4 H6 O5 0.038 g : 0.5 ml D2O L-(-)-malic acid 
Assign. Shift(ppm)
B 4.598 C *1 2.91 D *1 2.86 J(B,C)=5.3HZ J(B,D)=6.2HZ J(C,D)=-17.0HZ THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.417.81 4.666 322 412.56 4.607 401 411.56 4.596 442 406.38 4.538 372 261.56 2.921 1000 256.56 2.865 657 255.13 2.849 627
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1H NMR 399.65 MHz C4 H6 O5 0.039 g : 0.5 ml DMSO-d6 L-(-)-malic acid Assign. Shift(ppm)
A 12.4 B 5.5 C 4.270 D *1 2.618 E *1 2.455
Hz ppm Int.4963.26 12.420 116 1712.79 4.286 727 1708.21 4.275 822 1705.10 4.267 892 1700.33 4.255 770 1058.15 2.648 658 1053.39 2.636 684 1042.40 2.609 995 1037.64 2.597 970 991.48 2.481 1000 983.60 2.462 970 975.91 2.442 660 968.03 2.423 661
in D2O
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
