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Endo-bicyclo[3.3.1]nonan-3-carboxylic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

Endo-bicyclo[3.3.1]nonan-3-carboxylic acid
SpectraBase Compound ID JOomkQuIPlO
InChI InChI=1S/C10H16O2/c11-10(12)9-5-7-2-1-3-8(4-7)6-9/h7-9H,1-6H2,(H,11,12)/t7-,8+,9?
InChIKey XJKUZAYHWMSZNC-JVHMLUBASA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fc8NmtE8KVh
Name Endo-bicyclo[3.3.1]nonan-3-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c11-10(12)9-5-7-2-1-3-8(4-7)6-9/h7-9H,1-6H2,(H,11,12)/t7-,8+,9?
InChIKey XJKUZAYHWMSZNC-JVHMLUBASA-N
Molecular Weight 168.236 g/mol
SMILES C1[C@]2(CCC[C@](C2)(CC1C(O)=O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816983