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(3R,7R)-7-(iodanylmethyl)-3-methyl-oxepan-2-one
SpectraBase Compound ID 9xWQgX66EYZ
InChI InChI=1S/C8H13IO2/c1-6-3-2-4-7(5-9)11-8(6)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey KCJJYDJAGJSUTL-RNFRBKRXSA-N
Mol Weight 268.09 g/mol
Molecular Formula C8H13IO2
Exact Mass 267.996025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZZO892yGtu
Name (3R,7R)-7-(iodanylmethyl)-3-methyl-oxepan-2-one
Alternate Name(s) (3R,7R)-7-(iodomethyl)-3-methyl-2-oxepanone (3R,7R)-7-(iodomethyl)-3-methyl-oxepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13IO2
InChI InChI=1S/C8H13IO2/c1-6-3-2-4-7(5-9)11-8(6)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey KCJJYDJAGJSUTL-RNFRBKRXSA-N
Molecular Weight 268.094 g/mol
SMILES C1(O[C@@](CI)(CCC[C@]1(C)[H])[H])=O
SPLASH splash10-0006-9200000000-170fcaf65a3f33018e1b
Source of Spectrum J-59-5916-5
Wiley ID 1271534