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4-oxo-4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]butanoic acid
SpectraBase Compound ID 42NAF6ER7Vj
InChI InChI=1S/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)/i1D3,2D,3D,4D,5D
InChIKey OEEUWZITKKSXAZ-AAYPNNLASA-N
Mol Weight 199.26 g/mol
Molecular Formula C11H5D7O3
Exact Mass 199.122581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wt1G24fZ2W
Name 4-oxo-4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H5D7O3
InChI InChI=1S/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)/i1D3,2D,3D,4D,5D
InChIKey OEEUWZITKKSXAZ-AAYPNNLASA-N
Ionization Type EI
Molecular Weight 199.257 g/mol
Reported Formula C11H5D7O3
SMILES OC(CCC(c1c(c(c(C([D])([D])[D])c(c1[D])[D])[D])[D])=O)=O
SPLASH splash10-004i-2900000000-287429e68cbae0bcbe42
Source of Spectrum CN102234275B
Wiley ID 1850217