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2,2,2-trideuterio-1-[3-phenyl-5-(trideuteriomethyl)isoxazol-4-yl]ethanone
SpectraBase Compound ID LIIewLowecs
InChI InChI=1S/C12H11NO2/c1-8(14)11-9(2)15-13-12(11)10-6-4-3-5-7-10/h3-7H,1-2H3/i1D3,2D3
InChIKey LWPHDEBMXBDBBO-WFGJKAKNSA-N
Mol Weight 207.26 g/mol
Molecular Formula C12H52D6NO2
Exact Mass 207.116639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoD0BarwG0O
Name 2,2,2-trideuterio-1-[3-phenyl-5-(trideuteriomethyl)isoxazol-4-yl]ethanone
Alternate Name(s) 1-(5-(methyl-d3)-3-phenylisoxazol-4-yl)ethan-1-one-2,2,2-d3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H5D6NO2
InChI InChI=1S/C12H11NO2/c1-8(14)11-9(2)15-13-12(11)10-6-4-3-5-7-10/h3-7H,1-2H3/i1D3,2D3
InChIKey LWPHDEBMXBDBBO-WFGJKAKNSA-N
Literature Reference DOI 10.1002/hlca.19760590621
Molecular Weight 207.262 g/mol
SMILES c1(noc(c1C(=O)C([2D])([2D])[2D])C([2D])([2D])[2D])-c1ccccc1
SPLASH splash10-0f6y-9740000000-b5f439f5dc0a6a1fb000
Source of Spectrum H-59-2094-27c
Wiley ID 1799968