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4-Hydroxy-2-adamantanecarboxylic acid

View entire compound with spectra: 1 FTIR

4-Hydroxy-2-adamantanecarboxylic acid
SpectraBase Compound ID 9z6WbbnyH7B
InChI InChI=1S/C11H16O3/c12-10-7-2-5-1-6(4-7)9(11(13)14)8(10)3-5/h5-10,12H,1-4H2,(H,13,14)/t5-,6+,7-,8+,9+,10?/m0/s1
InChIKey BTKTYXAETPGDIU-RARKTWBQSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cm7kqTeUwTr
Name 4-Hydroxy-2-adamantanecarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.109944372 u
Formula C11H16O3
InChI InChI=1S/C11H16O3/c12-10-7-2-5-1-6(4-7)9(11(13)14)8(10)3-5/h5-10,12H,1-4H2,(H,13,14)/t5-,6+,7-,8+,9+,10?/m0/s1
InChIKey BTKTYXAETPGDIU-RARKTWBQSA-N
Molecular Weight 196.246 g/mol
SMILES [C@]12([C@@]([C@@]3(C[C@](C2)(C[C@](C1O)(C3)[H])[H])[H])(C(=O)O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803755