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[4,4,5,5-tetradeuterate]-6-hydroxytridecan-2-one
SpectraBase Compound ID 8xEGx5AcJHP
InChI InChI=1S/C13H26O2/c1-3-4-5-6-7-10-13(15)11-8-9-12(2)14/h13,15H,3-11H2,1-2H3/i8D2,11D2
InChIKey OPYSJEMBBDQGQP-ZUPNMEAQSA-N
Mol Weight 218.37 g/mol
Molecular Formula C13H22D4O2
Exact Mass 218.218387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbrhCPqnUMO
Name [4,4,5,5-tetradeuterate]-6-hydroxytridecan-2-one
Alternate Name(s) 6-Hydroxytridecan-2-one-4,4,5,5-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22D4O2
InChI InChI=1S/C13H26O2/c1-3-4-5-6-7-10-13(15)11-8-9-12(2)14/h13,15H,3-11H2,1-2H3/i8D2,11D2
InChIKey OPYSJEMBBDQGQP-ZUPNMEAQSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 218.373 g/mol
SMILES OC(C(C(CC(=O)C)([D])[D])([D])[D])CCCCCCC
SPLASH splash10-052f-9000000000-05dfa55e07cfca6abed6
Source of Spectrum CBC-12-170-[D4]_30
Wiley ID 1786707