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2-Cyclohexen-1-one, 3-(ethoxy-2,2,2-D3)-5,5-dimethyl-
SpectraBase Compound ID 43s6UFrafO0
InChI InChI=1S/C10H16O2/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5H,4,6-7H2,1-3H3/i1D3
InChIKey HALCXXAVLJHSTJ-FIBGUPNXSA-N
Mol Weight 171.25 g/mol
Molecular Formula C10H13D3O2
Exact Mass 171.13386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OGmkQqB2OI
Name 2-Cyclohexen-1-one, 3-(ethoxy-2,2,2-D3)-5,5-dimethyl-
Alternate Name(s) 3-(Ethoxy-2,2,2-D3)-5,5-dimethyl-2-cyclohexen-1-one
CAS Registry Number 17206-16-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13D3O2
InChI InChI=1S/C10H16O2/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5H,4,6-7H2,1-3H3/i1D3
InChIKey HALCXXAVLJHSTJ-FIBGUPNXSA-N
Molecular Weight 171.254 g/mol
SMILES C([D])([D])([D])COC1=CC(=O)CC(C1)(C)C
SPLASH splash10-014i-9400000000-b4feb6d5e66b9b1e8dc2
Source of Spectrum T-67-1838-0
Wiley ID 14963