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5-Chloro-2,2-dimethyl-3-heptanone
SpectraBase Compound ID APdCMVkIGgr
InChI InChI=1S/C9H17ClO/c1-5-7(10)6-8(11)9(2,3)4/h7H,5-6H2,1-4H3
InChIKey NCESFHPIZARURW-UHFFFAOYSA-N
Mol Weight 176.69 g/mol
Molecular Formula C9H17ClO
Exact Mass 176.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0bhA1o9JyG
Name 5-Chloro-2,2-dimethyl-3-heptanone
Alternate Name(s) 5-Chloranyl-2,2-dimethyl-heptan-3-one 5-Chloro-2,2-dimethyl-heptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17ClO
InChI InChI=1S/C9H17ClO/c1-5-7(10)6-8(11)9(2,3)4/h7H,5-6H2,1-4H3
InChIKey NCESFHPIZARURW-UHFFFAOYSA-N
Molecular Weight 176.687 g/mol
SMILES CC(C(CC(CC)Cl)=O)(C)C
SPLASH splash10-0a4i-9000000000-7098263a0f5814349aa4
Source of Spectrum O1-30-549-7
Wiley ID 818630