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4-Heptanone, 1,7-dichloro-
SpectraBase Compound ID A7nnag0OAIj
InChI InChI=1S/C7H12Cl2O/c8-5-1-3-7(10)4-2-6-9/h1-6H2
InChIKey SCKUIKDAPAUGBE-UHFFFAOYSA-N
Mol Weight 183.08 g/mol
Molecular Formula C7H12Cl2O
Exact Mass 182.02652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KiNlAdEO0Vt
Name 4-Heptanone, 1,7-dichloro-
Alternate Name(s) 1,7-bis(chloranyl)heptan-4-one 1,7-Dichloro-4-heptanone 1,7-Dichloroheptan-4-one
CAS Registry Number 40624-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12Cl2O
InChI InChI=1S/C7H12Cl2O/c8-5-1-3-7(10)4-2-6-9/h1-6H2
InChIKey SCKUIKDAPAUGBE-UHFFFAOYSA-N
Molecular Weight 183.078 g/mol
SMILES C(CCC(=O)CCCCl)Cl
SPLASH splash10-0a4l-9400000000-78d9d491f62120c23070
Source of Spectrum SD-1981-0-0
Wiley ID 1177978