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[5,5,6,6-tetradeuterate]Dodecan-3,7-dione
SpectraBase Compound ID 9IWP1Znjue
InChI InChI=1S/C12H22O2/c1-3-5-6-8-12(14)10-7-9-11(13)4-2/h3-10H2,1-2H3/i7D2,10D2
InChIKey HONIPMHHGBZLAS-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 Cw9GcZtEvB8
Name [5,5,6,6-tetradeuterate]Dodecan-3,7-dione
Alternate Name(s) Dodecane-3,7-dione-5,5,6,6-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18D4O2
InChI InChI=1S/C12H22O2/c1-3-5-6-8-12(14)10-7-9-11(13)4-2/h3-10H2,1-2H3/i7D2,10D2
InChIKey HONIPMHHGBZLAS-AQVLYMJBSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 202.330 g/mol
SMILES C([D])([D])(C(CC(CC)=O)([D])[D])C(CCCCC)=O
SPLASH splash10-052f-9100000000-ecd94ed5fc36c7026fd9
Source of Spectrum CBC-12-170-[D4]_50
Wiley ID 1786714