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7-(chloroiodomethyl)-6,6-dimethylazepan-2-one
SpectraBase Compound ID BYjaw69MoUF
InChI InChI=1S/C9H15ClINO/c1-9(2)5-3-4-6(13)12-7(9)8(10)11/h7-8H,3-5H2,1-2H3,(H,12,13)
InChIKey ISRICMSGQHVJKZ-UHFFFAOYSA-N
Mol Weight 315.58 g/mol
Molecular Formula C9H15ClINO
Exact Mass 314.988687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0OQRsAMNf2
Name 7-(chloroiodomethyl)-6,6-dimethylazepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15ClINO
InChI InChI=1S/C9H15ClINO/c1-9(2)5-3-4-6(13)12-7(9)8(10)11/h7-8H,3-5H2,1-2H3,(H,12,13)
InChIKey ISRICMSGQHVJKZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol060983q
Molecular Weight 315.582 g/mol
SMILES N1C(CCCC(C1C(I)Cl)(C)C)=O
SPLASH splash10-00ko-9200000000-5be6340b5b318774e42e
Source of Spectrum A1-8-2647/SMS11-17a
Wiley ID 1760920