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3-Ketobicyclo[3.3.1]nonane-7-carboxylic acid

View entire compound with spectra: 1 FTIR

3-Ketobicyclo[3.3.1]nonane-7-carboxylic acid
SpectraBase Compound ID 8b7zssiYoj2
InChI InChI=1S/C10H14O3/c11-9-4-6-1-7(5-9)3-8(2-6)10(12)13/h6-8H,1-5H2,(H,12,13)/t6-,7-/m1/s1
InChIKey DESICXXXLWJYFR-RNFRBKRXSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FxDgKvPq2zU
Name 3-Ketobicyclo[3.3.1]nonane-7-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.094294308 u
Formula C10H14O3
InChI InChI=1S/C10H14O3/c11-9-4-6-1-7(5-9)3-8(2-6)10(12)13/h6-8H,1-5H2,(H,12,13)/t6-,7-/m1/s1
InChIKey DESICXXXLWJYFR-RNFRBKRXSA-N
Molecular Weight 182.219 g/mol
SMILES C(=O)(C1C[C@@]2(CC(C[C@@](C1)(C2)[H])=O)[H])O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96563