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(1R*,3S*,5S*)-3-(Phenyl)methylbicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID 9oUPUgXbhlO
InChI InChI=1S/C13H14O/c14-13-11(7-10-8-12(10)13)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-,12-/m1/s1
InChIKey AVBFEMIJLMPPRE-IJLUTSLNSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9Ham3TmOJm
Name (1R*,3S*,5S*)-3-(Phenyl)methylbicyclo[3.1.0]hexan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c14-13-11(7-10-8-12(10)13)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-,12-/m1/s1
InChIKey AVBFEMIJLMPPRE-IJLUTSLNSA-N
Molecular Weight 186.254 g/mol
SMILES [C@@]12([C@@](C[C@](C2=O)(Cc2ccccc2)[H])([H])C1)[H]
SPLASH splash10-0007-9700000000-c1d6f57475167ab06277
Source of Spectrum F-54-2675-7
Synonyms (1R,3S,5S)-3-benzylbicyclo[3.1.0]hexan-2-one
Wiley ID 806215