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Ethanone-2,2,2-D3, 1-(5-methyl-3-phenyl-4-isoxazolyl)-
SpectraBase Compound ID Ixv8uqcZirw
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
InChIKey LWPHDEBMXBDBBO-FIBGUPNXSA-N
Mol Weight 204.24 g/mol
Molecular Formula C12H82D3NO2
Exact Mass 204.097809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2sERciJgZX
Name Ethanone-2,2,2-D3, 1-(5-methyl-3-phenyl-4-isoxazolyl)-
Alternate Name(s) 4-Trideuterioacetyl-5-methyl-3-phenyl-isoxazole
CAS Registry Number 61728-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8D3NO2
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
InChIKey LWPHDEBMXBDBBO-FIBGUPNXSA-N
Molecular Weight 204.243 g/mol
SMILES c1(c(noc1C)-c1ccccc1)C(=O)C([2D])([2D])[2D]
SPLASH splash10-0f6y-8950000000-2c2be43841a1af28188a
Source of Spectrum H-59-2091-27
Wiley ID 1198851