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(1RS,4SR,5SR,6SR)-5-exo-benzeneselenyl-6-endo-chlorobicyclo[2.2.2]octan-2-one
SpectraBase Compound ID Bt0dCEG6d2A
InChI InChI=1S/C14H15ClOSe/c15-13-11-7-6-9(8-12(11)16)14(13)17-10-4-2-1-3-5-10/h1-5,9,11,13-14H,6-8H2/t9-,11+,13-,14-/m0/s1
InChIKey UNNNGASONRNHII-HYKPAMGXSA-N
Mol Weight 313.7 g/mol
Molecular Formula C14H15ClOSe
Exact Mass 313.997665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxSWmBDOiQ5
Name (1RS,4SR,5SR,6SR)-5-exo-benzeneselenyl-6-endo-chlorobicyclo[2.2.2]octan-2-one
CAS Registry Number 126577-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15ClOSe
InChI InChI=1S/C14H15ClOSe/c15-13-11-7-6-9(8-12(11)16)14(13)17-10-4-2-1-3-5-10/h1-5,9,11,13-14H,6-8H2/t9-,11+,13-,14-/m0/s1
InChIKey UNNNGASONRNHII-HYKPAMGXSA-N
Molecular Weight 313.698 g/mol
SMILES [C@]12([C@@]([C@@]([Se]c3ccccc3)([C@@](CC1)(CC2=O)[H])[H])(Cl)[H])[H]
SPLASH splash10-004i-9301000000-780bf402d4ca249dfbdf
Source of Spectrum H-72-1022-27
Synonyms 6-Chloro-5-(phenylselanyl)bicyclo[2.2.2]octan-2-one
Wiley ID 1314719