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3-(3'-Iodo-2',2'-dimethylpropoxy)cyclohex-2-en-1-one
SpectraBase Compound ID EmdpwhwebEV
InChI InChI=1S/C11H17IO2/c1-11(2,7-12)8-14-10-5-3-4-9(13)6-10/h6H,3-5,7-8H2,1-2H3
InChIKey KNAUHFDCFKZDCV-UHFFFAOYSA-N
Mol Weight 308.16 g/mol
Molecular Formula C11H17IO2
Exact Mass 308.027325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZBjb4vbJx8
Name 3-(3'-Iodo-2',2'-dimethylpropoxy)cyclohex-2-en-1-one
Appearance Colourless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.027324785 u
Formula C11H17IO2
InChI InChI=1S/C11H17IO2/c1-11(2,7-12)8-14-10-5-3-4-9(13)6-10/h6H,3-5,7-8H2,1-2H3
InChIKey KNAUHFDCFKZDCV-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603303
Molecular Weight 308.159 g/mol
Quality 345
Reported Formula C11H17(127)IO2
SMILES C(I)C(COC1=CC(CCC1)=O)(C)C
SPLASH splash10-00kf-9200000000-cc6955d6702a1d0d9c69
Source of Spectrum QE-22-SM9-3e (DOI: 10.1002/chem.201603303)
Thin-Layer Chromatography 0.37 (pentane/EtOAc, 1:1)
Wiley ID 1905245