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1H-Cyclopent[c]oxepin-1-one, octahydro-, trans-
SpectraBase Compound ID HGjl4CX61mf
InChI InChI=1S/C9H14O2/c10-9-8-5-1-3-7(8)4-2-6-11-9/h7-8H,1-6H2/t7-,8+/m0/s1
InChIKey AJYMXSXUGLDQPB-JGVFFNPUSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wSchT6hjYD
Name 1H-Cyclopent[c]oxepin-1-one, octahydro-, trans-
CAS Registry Number 114784-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c10-9-8-5-1-3-7(8)4-2-6-11-9/h7-8H,1-6H2/t7-,8+/m0/s1
InChIKey AJYMXSXUGLDQPB-JGVFFNPUSA-N
Molecular Weight 154.209 g/mol
SMILES C1([C@]2([C@@](CCC2)(CCCO1)[H])[H])=O
SPLASH splash10-014j-9100000000-a1db22063ff3f0d0ddf1
Source of Spectrum F-43-3384-41
Synonyms (5aS,8aR)-octahydro-1H-cyclopenta[c]oxepin-1-one trans-2-oxabicylo[5.3.0]decan-1-one
Wiley ID 1151307