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[3,5-dideuterate]-Tridecan-4-one
SpectraBase Compound ID 4I5IjUrhQyK
InChI InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3/i11D,12D
InChIKey JWSRUPAFLPWLNO-USUSYXOVSA-N
Mol Weight 200.36 g/mol
Molecular Formula C13H24D2O
Exact Mass 200.210919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70F8o6WyrsW
Name [3,5-dideuterate]-Tridecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24D2O
InChI InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3/i11D,12D
InChIKey JWSRUPAFLPWLNO-USUSYXOVSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 200.362 g/mol
SMILES CCC(C(C(CCCCCCCC)[D])=O)[D]
SPLASH splash10-0076-9200000000-bf78f24a577f2dafc572
Source of Spectrum CBC-12-155/SM12-[(2)H2]_73
Synonyms Tridecan-4-one-3,5-d2
Wiley ID 1786690