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3,5,9-Undecatrien-2-one-1,1,1-D3, 6,10-dimethyl-, (E,E)-
SpectraBase Compound ID A0Xe0Iu1fmT
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+/i4D3
InChIKey JXJIQCXXJGRKRJ-HOOORODRSA-N
Mol Weight 195.32 g/mol
Molecular Formula C13H172D3O
Exact Mass 195.170246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gYxb5pCLZH
Name 3,5,9-Undecatrien-2-one-1,1,1-D3, 6,10-dimethyl-, (E,E)-
Alternate Name(s) t-.psi.-ionone-D3
CAS Registry Number 55570-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17D3O
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+/i4D3
InChIKey JXJIQCXXJGRKRJ-HOOORODRSA-N
Molecular Weight 195.320 g/mol
SMILES C(\C(=C\C=C\C(=O)C([2D])([2D])[2D])C)CC=C(C)C
SPLASH splash10-015c-9200000000-c6f4abe8cebca8490136
Source of Spectrum O-2-2273-0
Wiley ID 21269