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Bicyclo[2.2.2]octane-2-carboxylic acid, 3,3-dimethyl-

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

Bicyclo[2.2.2]octane-2-carboxylic acid, 3,3-dimethyl-
SpectraBase Compound ID KaQJDbLTYaY
InChI InChI=1S/C11H18O2/c1-11(2)8-5-3-7(4-6-8)9(11)10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKey WUGNUAPFEZJBBF-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8E9UXf9TQaM
Name Bicyclo[2.2.2]octane-2-carboxylic acid, 3,3-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-11(2)8-5-3-7(4-6-8)9(11)10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKey WUGNUAPFEZJBBF-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
SMILES C1(C(C(=O)O)C2CCC1CC2)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936036