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(1S,5S,6S)*-5-chlorobicyclo[4.4.0]decan-2-one

View entire compound with spectra: 1 MS (GC)

(1S,5S,6S)*-5-chlorobicyclo[4.4.0]decan-2-one
SpectraBase Compound ID DW30XySwYBR
InChI InChI=1S/C10H15ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-9H,1-6H2/t7-,8-,9-/m0/s1
InChIKey UOBWWIKVCWWDAZ-CIUDSAMLSA-N
Mol Weight 186.68 g/mol
Molecular Formula C10H15ClO
Exact Mass 186.081143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9MxJ1YRSSf
Name (1S,5S,6S)*-5-chlorobicyclo[4.4.0]decan-2-one
CAS Registry Number 134080-42-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15ClO
InChI InChI=1S/C10H15ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-9H,1-6H2/t7-,8-,9-/m0/s1
InChIKey UOBWWIKVCWWDAZ-CIUDSAMLSA-N
Molecular Weight 186.682 g/mol
SMILES [C@]12([C@@]([C@@](Cl)(CCC2=O)[H])(CCCC1)[H])[H]
SPLASH splash10-000i-0900000000-303e7d9feb60424ff963
Source of Spectrum C-113-5026-7
Synonyms (4S,4aS,8aS)-4-chlorooctahydro-1(2H)-naphthalenone
Wiley ID 1182697