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[6,6,7-trideuterate]Tridecan-4,8-dione
SpectraBase Compound ID JIxVbahLONk
InChI InChI=1S/C13H24O2/c1-3-5-6-9-13(15)11-7-10-12(14)8-4-2/h3-11H2,1-2H3/i7D2,11D
InChIKey JLESEYQEYBMRQC-XGWWUZNLSA-N
Mol Weight 215.35 g/mol
Molecular Formula C13H21D3O2
Exact Mass 215.19646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiD6D6Q960b
Name [6,6,7-trideuterate]Tridecan-4,8-dione
Alternate Name(s) Tridecane-4,8-dione-6,6,7-d3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21D3O2
InChI InChI=1S/C13H24O2/c1-3-5-6-9-13(15)11-7-10-12(14)8-4-2/h3-11H2,1-2H3/i7D2,11D
InChIKey JLESEYQEYBMRQC-XGWWUZNLSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 215.351 g/mol
SMILES C(C(CCCCC)=O)(C([D])([D])CC(CCC)=O)[D]
SPLASH splash10-0006-9100000000-97734b92072a7a0e241c
Source of Spectrum CBC-12-171-[D3]_51
Wiley ID 1786699