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(1R,5S)-5-methyl-4-oxabicyclo[3.3.1]nonan-3-one

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

(1R,5S)-5-methyl-4-oxabicyclo[3.3.1]nonan-3-one
SpectraBase Compound ID 18Il7AXiUhX
InChI InChI=1S/C9H14O2/c1-9-4-2-3-7(6-9)5-8(10)11-9/h7H,2-6H2,1H3/t7-,9-/m0/s1
InChIKey JITNDKCAGXHQKH-CBAPKCEASA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GDhIXLcYdC8
Name (1R,5S)-5-Methyl-4-oxabicyclo[3.3.1]nonan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 154.099379689 u
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-9-4-2-3-7(6-9)5-8(10)11-9/h7H,2-6H2,1H3/t7-,9-/m0/s1
InChIKey JITNDKCAGXHQKH-CBAPKCEASA-N
Molecular Weight 154.209 g/mol
SMILES C1(O[C@]2(CCC[C@](C2)(C1)[H])C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933882