(R)-(+)-Methylsuccinic acid(3641-51-8) IR1
Product Name(R)-(+)-Methylsuccinic acid
CAS3641-51-8
Molecular FormulaC5H8O4
Molecular Weight132.11
InChIInChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m1/s1
InChIKey WXUAQHNMJWJLTG-GSVOUGTGSA-N
SmilesC(O)(=O)[C@H](C)CC(O)=O
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MassMS-IW-9074 (R)-(+)-methylsuccinic acid C5H8O4 (Mass of molecular ion: 132)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
14.0 1.1 15.0 2.7 17.0 5.8 18.0 30.1 26.0 5.0 27.0 22.4 28.0 8.1 29.0 4.3 31.0 2.4 37.0 2.5 38.0 4.1 39.0 20.5 40.0 7.9 41.0 49.0 42.0 100.0 43.0 29.4 44.0 2.8 45.0 40.3 46.0 2.1 53.0 1.3 55.0 23.3 56.0 1.5 57.0 1.4 58.0 8.5 59.0 1.3 60.0 11.1 63.0 4.6 68.0 3.2 69.0 14.5 70.0 10.1 71.0 1.7 73.0 39.0 74.0 1.7 85.0 1.9 86.0 51.4 87.0 9.8 88.0 4.0 114.0 36.5 115.0 7.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H8 O4 0.038 g : 0.5 ml DMSO-d6 (R)-(+)-methylsuccinic acid 
Assign. Shift(ppm)
A 12.2 B 2.666 C *1 2.500 D *1 2.307 E 1.101 SIGNAL C OVERLAPPED BY SOLVENT PEAKS
Hz ppm Int.4859.22 12.159 128 1076.84 2.695 64 1071.16 2.681 88 1069.69 2.677 96 1068.59 2.674 100 1064.01 2.663 99 1062.92 2.660 111 1061.45 2.656 100 1055.77 2.642 90 1012.36 2.534 197 1008.51 2.524 44 1006.68 2.519 84 1003.94 2.513 195 1001.37 2.506 45 995.69 2.492 261 987.27 2.471 219 931.58 2.331 242 925.91 2.317 235 914.92 2.290 174 909.24 2.276 157 443.81 1.111 1000 436.67 1.093 986
in DMSO-d6
KBr disc
nujol mull
