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Methyl S-4,4,4-trifluoro-3-(trideuteriomethyl)-3-hydroxybutanoate
SpectraBase Compound ID 22dBaZUe20K
InChI InChI=1S/C6H9F3O3/c1-5(11,6(7,8)9)3-4(10)12-2/h11H,3H2,1-2H3/t5-/m0/s1/i1D3
InChIKey SMVYTQYMEGOCJQ-MQBGRFPLSA-N
Mol Weight 189.15 g/mol
Molecular Formula C6H62D3F3O3
Exact Mass 189.069209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8N0PDr25rn8
Name Methyl S-4,4,4-trifluoro-3-(trideuteriomethyl)-3-hydroxybutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6D3F3O3
InChI InChI=1S/C6H9F3O3/c1-5(11,6(7,8)9)3-4(10)12-2/h11H,3H2,1-2H3/t5-/m0/s1/i1D3
InChIKey SMVYTQYMEGOCJQ-MQBGRFPLSA-N
Molecular Weight 189.149 g/mol
SMILES O[C@](C(F)(F)F)(CC(=O)OC)C([2D])([2D])[2D]
SPLASH splash10-05te-9500000000-2b235014886405fd35f2
Source of Spectrum K-127-577-36
Wiley ID 1182236