For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cyclopenta[cd]pentalene-1,3-dione, octahydro-6-(phenylseleno)-, (2a.alpha.,4a.alpha.,6.alpha.,6a.alpha.,6b.alpha.)-
SpectraBase Compound ID HJThR57JIyc
InChI InChI=1S/C16H16O2Se/c17-12-6-9-7-14(19-10-4-2-1-3-5-10)16-13(18)8-11(12)15(9)16/h1-5,9,11,14-16H,6-8H2/t9-,11-,14-,15?,16+/m0/s1
InChIKey XTVOJRQUEYLBDB-WMYFBYOPSA-N
Mol Weight 319.27 g/mol
Molecular Formula C16H16O2Se
Exact Mass 320.031552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AObt7s8jqeI
Name Cyclopenta[cd]pentalene-1,3-dione, octahydro-6-(phenylseleno)-, (2a.alpha.,4a.alpha.,6.alpha.,6a.alpha.,6b.alpha.)-
CAS Registry Number 112854-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2Se
InChI InChI=1S/C16H16O2Se/c17-12-6-9-7-14(19-10-4-2-1-3-5-10)16-13(18)8-11(12)15(9)16/h1-5,9,11,14-16H,6-8H2/t9-,11-,14-,15?,16+/m0/s1
InChIKey XTVOJRQUEYLBDB-WMYFBYOPSA-N
Molecular Weight 319.274 g/mol
SMILES C12[C@@]3(C(=O)C[C@]2(C[C@@]([C@]1(C(=O)C3)[H])([Se]c1ccccc1)[H])[H])[H]
SPLASH splash10-000i-0900000000-dbfc0d4b8bb274aa7116
Source of Spectrum F-43-2154-15
Synonyms (2aR,4aS,6S,6aR)-6-(phenylselanyl)octahydrocyclopenta[cd]pentalene-1,3-dione endo-octahydro-6-phenylselenocyclopenta[cd]pentalene-1,3-dione exo-octahydro-6-phenylselenocyclopenta[cd]pentalene-1,3-dione
Wiley ID 1319906