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9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

View entire compound with spectra: 1 FTIR

9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
SpectraBase Compound ID 6L4xNInO1oW
InChI InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3/t9-,10-,11+,12-/m0/s1
InChIKey VDWRKBZMQNPUOB-YFKTTZPYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EiOCysUzXK0
Name 9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.151809184 u
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3/t9-,10-,11+,12-/m0/s1
InChIKey VDWRKBZMQNPUOB-YFKTTZPYSA-N
Molecular Weight 230.304 g/mol
SMILES [C@]12(C[C@@](O)([C@](CO2)(CO)[H])[H])OC[C@](CC1)(CC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912995