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[4,4,5,5-tetradeuterate]-Dodecane-2,6-dione
SpectraBase Compound ID CQEqo0SZwCX
InChI InChI=1S/C12H22O2/c1-3-4-5-6-9-12(14)10-7-8-11(2)13/h3-10H2,1-2H3/i7D2,10D2
InChIKey ZENFSADFPKUXEG-AQVLYMJBSA-N
Mol Weight 202.33 g/mol
Molecular Formula C12H18D4O2
Exact Mass 202.187087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcqzUpiwnHz
Name [4,4,5,5-tetradeuterate]-Dodecane-2,6-dione
Alternate Name(s) Dodecane-2,6-dione-4,4,5,5-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18D4O2
InChI InChI=1S/C12H22O2/c1-3-4-5-6-9-12(14)10-7-8-11(2)13/h3-10H2,1-2H3/i7D2,10D2
InChIKey ZENFSADFPKUXEG-AQVLYMJBSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 202.330 g/mol
SMILES C([D])([D])(C([D])([D])CC(C)=O)C(CCCCCC)=O
SPLASH splash10-0006-9000000000-2f8b3cd1394f2dc4e514
Source of Spectrum CBC-12-166-[D4]_19
Wiley ID 1786702