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3-(Trideuteriomethyl)cyclopentadec-5-yn-1-one
SpectraBase Compound ID 31rarOkrN1K
InChI InChI=1S/C16H26O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-7,9,11-14H2,1H3/i1D3
InChIKey KQTDQEVMOUHOAX-FIBGUPNXSA-N
Mol Weight 237.4 g/mol
Molecular Formula C16H232D3O
Exact Mass 237.217196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICnlDhlm0nN
Name 3-(Trideuteriomethyl)cyclopentadec-5-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23D3O
InChI InChI=1S/C16H26O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-7,9,11-14H2,1H3/i1D3
InChIKey KQTDQEVMOUHOAX-FIBGUPNXSA-N
Molecular Weight 237.401 g/mol
SMILES C1#CCCCCCCCCCC(CC(C1)C([2D])([2D])[2D])=O
SPLASH splash10-0564-9400000000-853290310472d06452e5
Source of Spectrum H-92-1797-31
Wiley ID 1693698