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1,4-Dioxaspiro[4.4]nonane, 2-butanone deriv.

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

1,4-Dioxaspiro[4.4]nonane, 2-butanone deriv.
SpectraBase Compound ID 7dwRbc2A3gO
InChI InChI=1S/C12H20O3/c1-9(13)11(2,3)10-4-5-12(8-10)14-6-7-15-12/h10H,4-8H2,1-3H3
InChIKey GYLLRHUNDQZGMG-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFg4K33hTQv
Name 1,4-Dioxaspiro[4.4]nonane, 2-butanone deriv.
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9(13)11(2,3)10-4-5-12(8-10)14-6-7-15-12/h10H,4-8H2,1-3H3
InChIKey GYLLRHUNDQZGMG-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C12(CC(C(C(=O)C)(C)C)CC2)OCCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928519