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endo-3-chloro-exo-4-(phenylthio)bicyclo[3.2.1]octane-6-one
SpectraBase Compound ID IFYGTIa7znA
InChI InChI=1S/C14H15ClOS/c15-12-7-9-6-11(13(16)8-9)14(12)17-10-4-2-1-3-5-10/h1-5,9,11-12,14H,6-8H2
InChIKey XUGLAJXCJOLXND-UHFFFAOYSA-N
Mol Weight 266.79 g/mol
Molecular Formula C14H15ClOS
Exact Mass 266.053214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aYTgYeUK0z
Name endo-3-chloro-exo-4-(phenylthio)bicyclo[3.2.1]octane-6-one
Alternate Name(s) 3-Chloro-4-(phenylsulfanyl)bicyclo[3.2.1]octan-6-one
CAS Registry Number 109637-62-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15ClOS
InChI InChI=1S/C14H15ClOS/c15-12-7-9-6-11(13(16)8-9)14(12)17-10-4-2-1-3-5-10/h1-5,9,11-12,14H,6-8H2
InChIKey XUGLAJXCJOLXND-UHFFFAOYSA-N
Molecular Weight 266.786 g/mol
SMILES C12C(C(Cl)CC(C2)CC1=O)Sc1ccccc1
SPLASH splash10-004i-9300000000-80231a05014389681e78
Source of Spectrum K-120-1727-8
Wiley ID 1269771