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dimethyl 2,3,3-trideuterio-2-hydroxy-pentanedioate
SpectraBase Compound ID DC9g7hXFtIs
InChI InChI=1S/C7H12O5/c1-11-6(9)4-3-5(8)7(10)12-2/h5,8H,3-4H2,1-2H3/i3D2,5D
InChIKey SHBLBMNYOOCEFM-MSYDVTBWSA-N
Mol Weight 179.19 g/mol
Molecular Formula C7H9D3O5
Exact Mass 179.087304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48ZFktx88Ue
Name dimethyl 2,3,3-trideuterio-2-hydroxy-pentanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9D3O5
InChI InChI=1S/C7H12O5/c1-11-6(9)4-3-5(8)7(10)12-2/h5,8H,3-4H2,1-2H3/i3D2,5D
InChIKey SHBLBMNYOOCEFM-MSYDVTBWSA-N
Instrument Name Shimadzu TQ-8050
Ionization Type EI
Literature Reference DOI 10.1002/rcm.8485
Molecular Weight 179.186 g/mol
SMILES OC(C(CC(OC)=O)([D])[D])(C(=O)OC)[D]
SPLASH splash10-000i-9100000000-a462e33b8abe08e9cbc1
Source of Spectrum RCM-33-1403-Deuterio 2-hg
Wiley ID 1839171