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(4S)-4-(Hydroxymethyl)-1,1-ethylidenedioxycyclooctane

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

(4S)-4-(Hydroxymethyl)-1,1-ethylidenedioxycyclooctane
SpectraBase Compound ID 7d6CpjYGH7a
InChI InChI=1S/C11H20O3/c12-9-10-3-1-2-5-11(6-4-10)13-7-8-14-11/h10,12H,1-9H2/t10-/m0/s1
InChIKey ACNJMBPGCAKPGG-JTQLQIEISA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GvWcRWQ6oWO
Name (4S)-4-(Hydroxymethyl)-1,1-ethylidenedioxycyclooctane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.141244501 u
Formula C11H20O3
InChI InChI=1S/C11H20O3/c12-9-10-3-1-2-5-11(6-4-10)13-7-8-14-11/h10,12H,1-9H2/t10-/m0/s1
InChIKey ACNJMBPGCAKPGG-JTQLQIEISA-N
Molecular Weight 200.278 g/mol
SMILES C12(OCCO2)CC[C@@](CO)(CCCC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893166