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Octahydro-3H-cyclopent[c]inden-3-one
SpectraBase Compound ID 3Q0T24U8LYy
InChI InChI=1S/C12H16O/c13-11-6-8-12-7-2-1-3-9(12)4-5-10(11)12/h6,8-10H,1-5,7H2/t9-,10+,12+/m1/s1
InChIKey OPGDFGVNEIRSKK-SCVCMEIPSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YVgnWbnNQx
Name Octahydro-3H-cyclopent[c]inden-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c13-11-6-8-12-7-2-1-3-9(12)4-5-10(11)12/h6,8-10H,1-5,7H2/t9-,10+,12+/m1/s1
InChIKey OPGDFGVNEIRSKK-SCVCMEIPSA-N
Molecular Weight 176.259 g/mol
SMILES [C@@]123C=CC([C@@]3(CC[C@]1(CCCC2)[H])[H])=O
SPLASH splash10-004i-0900000000-dff7ca0fcc82a9c10c4c
Source of Spectrum J-59-2388-23
Synonyms (3aR,5aR,9aR)-3a,4,5,5a,6,7,8,9-Octahydro-cyclopenta[c]inden-3-one 3a,4,5,5a,6,7,8,9-octahydro-3H-cyclopenta[c]inden-3-one (3aR,5aR,9aR)-3a,4,5,5a,6,7,8,9-octahydrocyclopenta[i]inden-3-one
Wiley ID 1172823