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Product NameKetoleucine calcium salt dihydrate
CAS51828-95-6
Molecular FormulaC6H12CaO3
Molecular Weight172.24
InChIInChI=1S/C6H10O3.Ca.2H/c1-4(2)3-5(7)6(8)9;;;/h4H,3H2,1-2H3,(H,8,9);;;
InChIKey NQKUPRIQLTUMTG-UHFFFAOYSA-N
SmilesC(=O)(C(=O)O)CC(C)C.[Ca]
13CNMR
IR1
IR2
in DMSO-d6
KBr disc
nujol mull
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Ketoleucine calcium salt dihydrate(51828-95-6) 13C NMR Atlas of Related Products