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(1R,2S,3S,5S)-7,7-Ethylenedioxy-3-hydroxy-2-methylbicyclo[3.3.0]octane

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

(1R,2S,3S,5S)-7,7-Ethylenedioxy-3-hydroxy-2-methylbicyclo[3.3.0]octane
SpectraBase Compound ID 4CYByzIh9c8
InChI InChI=1S/C11H18O3/c1-7-9-6-11(13-2-3-14-11)5-8(9)4-10(7)12/h7-10,12H,2-6H2,1H3/t7-,8-,9-,10-/m0/s1
InChIKey ICBFNEWCWKQFMZ-XKNYDFJKSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G7W6Lv05RPC
Name (1R,2S,3S,5S)-7,7-Ethylenedioxy-3-hydroxy-2-methylbicyclo[3.3.0]octane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.125594437 u
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-7-9-6-11(13-2-3-14-11)5-8(9)4-10(7)12/h7-10,12H,2-6H2,1H3/t7-,8-,9-,10-/m0/s1
InChIKey ICBFNEWCWKQFMZ-XKNYDFJKSA-N
Molecular Weight 198.262 g/mol
SMILES [C@@]12([C@@](C[C@@]([C@]2(C)[H])(O)[H])(CC2(C1)OCCO2)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89155