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Trans-bicyclo[5.3.1]undecan-11-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Trans-bicyclo[5.3.1]undecan-11-one
SpectraBase Compound ID 7nEkavo9KvM
InChI InChI=1S/C11H18O/c12-11-9-5-2-1-3-6-10(11)8-4-7-9/h9-10H,1-8H2/t9-,10-/m0/s1
InChIKey PKMRHGRTEMJLJV-UWVGGRQHSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2D0hf4LJyBh
Name Trans-bicyclo[5.3.1]undecan-11-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.135765199 u
Formula C11H18O
InChI InChI=1S/C11H18O/c12-11-9-5-2-1-3-6-10(11)8-4-7-9/h9-10H,1-8H2/t9-,10-/m0/s1
InChIKey PKMRHGRTEMJLJV-UWVGGRQHSA-N
Molecular Weight 166.264 g/mol
SMILES C1(=O)[C@@]2(CCC[C@@]1(CCCCC2)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802235