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Endo,endo-3-acetoxy-7-hydroxymethylbicyclo[3.3.1]nonane

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

Endo,endo-3-acetoxy-7-hydroxymethylbicyclo[3.3.1]nonane
SpectraBase Compound ID FTFwpjv2D1q
InChI InChI=1S/C12H20O3/c1-8(14)15-12-5-9-2-10(6-12)4-11(3-9)7-13/h9-13H,2-7H2,1H3
InChIKey WOEXAGBIEJFMSK-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GP5zGQmG2jm
Name Endo,endo-3-acetoxy-7-hydroxymethylbicyclo[3.3.1]nonane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-8(14)15-12-5-9-2-10(6-12)4-11(3-9)7-13/h9-13H,2-7H2,1H3
InChIKey WOEXAGBIEJFMSK-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C1(OC(=O)C)CC2CC(CC(C1)C2)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947246