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3,5,9-Undecatrien-2-one-11,11,11-D3, 6-methyl-10-(methyl-D3)-, (E,E)-
SpectraBase Compound ID 8s7dUaZJbnQ
InChI InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+/i1D3,2D3
InChIKey JXJIQCXXJGRKRJ-NBTOIRIVSA-N
Mol Weight 198.34 g/mol
Molecular Formula C13H142D6O
Exact Mass 198.189076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVErbzCu39M
Name 3,5,9-Undecatrien-2-one-11,11,11-D3, 6-methyl-10-(methyl-D3)-, (E,E)-
Alternate Name(s) t-.psi.-ionone-D6
CAS Registry Number 55570-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14D6O
InChI InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+/i1D3,2D3
InChIKey JXJIQCXXJGRKRJ-NBTOIRIVSA-N
Molecular Weight 198.339 g/mol
SMILES C(\C(=C\C=C\C(=O)C)C)CC=C(C([2D])([2D])[2D])C([2D])([2D])[2D]
SPLASH splash10-004l-9200000000-fd566638295774d7b0d6
Source of Spectrum O-2-2272-0
Wiley ID 21268