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3-Buten-2-one-1,1,1-D3, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
SpectraBase Compound ID CtostXm1aHU
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/i2D3
InChIKey UZFLPKAIBPNNCA-APFIAUBDSA-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 4dcU7X7kb9l
Name 3-Buten-2-one-1,1,1-D3, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
Alternate Name(s) .alpha.-ionone-.alpha.-D3
CAS Registry Number 54815-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17D3O
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/i2D3
InChIKey UZFLPKAIBPNNCA-APFIAUBDSA-N
Molecular Weight 195.320 g/mol
SMILES C1(\C=C\C(=O)C([2D])([2D])[2D])C(=CCCC1(C)C)C
SPLASH splash10-006y-9700000000-95b4b8a3f42a3df4169d
Source of Spectrum O-2-2363-0
Wiley ID 21274