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6,8-Dioxabicyclo[3.2.1]octane-5-acetic acid, 1-methyl-

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

6,8-Dioxabicyclo[3.2.1]octane-5-acetic acid, 1-methyl-
SpectraBase Compound ID 3qFSVlPYGN2
InChI InChI=1S/C9H14O4/c1-8-3-2-4-9(13-8,12-6-8)5-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKey LRFAMJRRJXSFAF-UHFFFAOYSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IXwkSggmwMY
Name 6,8-Dioxabicyclo[3.2.1]octane-5-acetic acid, 1-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.089208927 u
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-8-3-2-4-9(13-8,12-6-8)5-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKey LRFAMJRRJXSFAF-UHFFFAOYSA-N
Molecular Weight 186.207 g/mol
SMILES C12(OC(C)(CO2)CCC1)CC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910876