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2-Cyclohexen-1-one-2,4,4,6,6-D5, 5,5-dimethyl-3-(methyl-D3)-
SpectraBase Compound ID FqYn3uCsPn6
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3/i1D3,4D,5D2,6D2
InChIKey HJOVHMDZYOCNQW-WOACEMEVSA-N
Mol Weight 146.26 g/mol
Molecular Formula C9H6D8O
Exact Mass 146.154679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3n7Ye9V5khY
Name 2-Cyclohexen-1-one-2,4,4,6,6-D5, 5,5-dimethyl-3-(methyl-D3)-
Alternate Name(s) 3,3-Dimethyl-5-trideuteromethyl-2,2,4,4,6-pentadeuterocyclohex-5-enone
CAS Registry Number 14397-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6D8O
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3/i1D3,4D,5D2,6D2
InChIKey HJOVHMDZYOCNQW-WOACEMEVSA-N
Molecular Weight 146.259 g/mol
SMILES C1(=C(C([D])([D])C(C(C1=O)([D])[D])(C)C)C([D])([D])[D])[D]
SPLASH splash10-000i-9300000000-8dcb50f8e1cd90d24219
Source of Spectrum AD-0-2216-0
Wiley ID 7228