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4-[1-(tert-Butoxy)-2-iodomethoxy]-4-methyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID LwGc5ycAsuy
InChI InChI=1S/C13H19IO3/c1-12(2,3)16-11(9-14)17-13(4)7-5-10(15)6-8-13/h5-8,11H,9H2,1-4H3
InChIKey DDVYQWGTRJXEGB-UHFFFAOYSA-N
Mol Weight 350.2 g/mol
Molecular Formula C13H19IO3
Exact Mass 350.037889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtAU7CbmfAS
Name 4-[1-(tert-Butoxy)-2-iodomethoxy]-4-methyl-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19IO3
InChI InChI=1S/C13H19IO3/c1-12(2,3)16-11(9-14)17-13(4)7-5-10(15)6-8-13/h5-8,11H,9H2,1-4H3
InChIKey DDVYQWGTRJXEGB-UHFFFAOYSA-N
Molecular Weight 350.196 g/mol
SMILES C1(C=CC(C=C1)=O)(OC(OC(C)(C)C)CI)C
SPLASH splash10-0a6r-4900000000-8e0967554ebe54e5c1a6
Source of Spectrum QF-9-1573-21
Wiley ID 1558321