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[4,4,5,5-tetradeuterate]-Tridecane-2,6-dione
SpectraBase Compound ID Itkr9UqXyHL
InChI InChI=1S/C13H24O2/c1-3-4-5-6-7-10-13(15)11-8-9-12(2)14/h3-11H2,1-2H3/i8D2,11D2
InChIKey OFPGVQBKVCOPPE-ZUPNMEAQSA-N
Mol Weight 216.36 g/mol
Molecular Formula C13H20D4O2
Exact Mass 216.202737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqKItuAgRIP
Name [4,4,5,5-tetradeuterate]-Tridecane-2,6-dione
Alternate Name(s) Tridecane-2,6-dione-4,4,5,5-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20D4O2
InChI InChI=1S/C13H24O2/c1-3-4-5-6-7-10-13(15)11-8-9-12(2)14/h3-11H2,1-2H3/i8D2,11D2
InChIKey OFPGVQBKVCOPPE-ZUPNMEAQSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 216.357 g/mol
SMILES C([D])([D])(C([D])(CC(=O)C)[D])C(CCCCCCC)=O
SPLASH splash10-052f-9000000000-f6a13e16ea45a7013f56
Source of Spectrum CBC-12-167-[D4]_20
Wiley ID 1786703