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7,9-Dioxabicyclo[4.2.1]nonane, 6-hexyl-, (1S)-

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

7,9-Dioxabicyclo[4.2.1]nonane, 6-hexyl-, (1S)-
SpectraBase Compound ID 1Ui1Gcb643G
InChI InChI=1S/C13H24O2/c1-2-3-4-6-9-13-10-7-5-8-12(15-13)11-14-13/h12H,2-11H2,1H3/t12-,13+/m0/s1
InChIKey SJEFGABEUGDGHQ-QWHCGFSZSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FGX3FHjrx6J
Name 7,9-Dioxabicyclo[4.2.1]nonane, 6-hexyl-, (1S)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-2-3-4-6-9-13-10-7-5-8-12(15-13)11-14-13/h12H,2-11H2,1H3/t12-,13+/m0/s1
InChIKey SJEFGABEUGDGHQ-QWHCGFSZSA-N
Molecular Weight 212.333 g/mol
SMILES [C@@]12(O[C@](CCCC2)([H])CO1)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894284