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Bicyclo[3.3.1]nonane-3-butanal, 7-oxo-, exo-

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

Bicyclo[3.3.1]nonane-3-butanal, 7-oxo-, exo-
SpectraBase Compound ID BTpllctidax
InChI InChI=1S/C13H20O2/c14-4-2-1-3-10-5-11-7-12(6-10)9-13(15)8-11/h4,10-12H,1-3,5-9H2
InChIKey BRWADKRXBVHJOO-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DGPK0xqkOq6
Name Bicyclo[3.3.1]nonane-3-butanal, 7-oxo-, exo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c14-4-2-1-3-10-5-11-7-12(6-10)9-13(15)8-11/h4,10-12H,1-3,5-9H2
InChIKey BRWADKRXBVHJOO-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES C1(=O)CC2CC(CC(C1)C2)CCCC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917653