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(4R)-5,5,5-Trideuterio-2-keto-4-methyl-valeric acid ethyl ester
SpectraBase Compound ID DXKEEhmEDhH
InChI InChI=1S/C8H14O3/c1-4-11-8(10)7(9)5-6(2)3/h6H,4-5H2,1-3H3/i2D3/t6-/m0/s1
InChIKey MGSWAHQQBHNCEI-GBUHBDFJSA-N
Mol Weight 161.22 g/mol
Molecular Formula C8H11D3O3
Exact Mass 161.113125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JhuQFCFDK9
Name (4R)-5,5,5-Trideuterio-2-keto-4-methyl-valeric acid ethyl ester
Alternate Name(s) (4R)-5,5,5-Trideuterio-4-methyl-2-oxopentanoic acid ethyl ester Ethyl (4R)-5,5,5-trideuterio-4-methyl-2-oxidanylidene-pentanoate Ethyl (4R)-5,5,5-trideuterio-4-methyl-2-oxo-pentanoate
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Formula C8H11D3O3
InChI InChI=1S/C8H14O3/c1-4-11-8(10)7(9)5-6(2)3/h6H,4-5H2,1-3H3/i2D3/t6-/m0/s1
InChIKey MGSWAHQQBHNCEI-GBUHBDFJSA-N
Molecular Weight 161.215 g/mol
SMILES C([C@](CC(C(=O)OCC)=O)(C)[H])([D])([D])[D]
SPLASH splash10-0abi-9000000000-4da8e94af3f5803cae55
Source of Spectrum KC-0-47-6
Wiley ID 829833