Isocitric acid trisodium salt(1637-73-6) Raman
Product NameIsocitric acid trisodium salt
CAS1637-73-6
Molecular FormulaC6H9NaO7
Molecular Weight216.12
InChIInChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
InChIKey HWMVXEKEEAIYGB-UHFFFAOYSA-K
SmilesC(C([O-])=O)(CC([O-])=O)C(O)C([O-])=O.[Na+].[Na+].[Na+]
400 MHz in D2O
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1H NMR 399.65 MHz C6 H5 Na3 O7 0.039 g : 0.5 ml D2O trisodium DL-1-hydroxy-1,2,3-propanetricarboxylate 
Assign. Shift(ppm)
A 3.991 B 2.973 C *1 2.510 D *1 2.430 SOLVENT PEAK REMOVED
Hz ppm Int.1597.66 3.998 878 1592.77 3.986 888 1200.44 3.004 287 1198.12 2.998 61 1195.56 2.992 316 1192.99 2.986 588 1187.99 2.973 577 1185.30 2.966 367 1180.30 2.954 327 1017.58 2.547 457 1009.77 2.527 426 1007.08 2.520 45 1002.32 2.508 1000 998.17 2.498 59 994.38 2.489 926 979.61 2.452 926 976.32 2.443 72 975.95 2.443 72 972.29 2.433 896 964.23 2.413 439 961.79 2.407 45 956.91 2.395 402
KBr disc
nujol mull
