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5-Tert-butyl-2-hydroxycyclohexanecarboxylic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

5-Tert-butyl-2-hydroxycyclohexanecarboxylic acid
SpectraBase Compound ID KocsAo7EIpB
InChI InChI=1S/C11H20O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKey PYEOMDZPPRSCOZ-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Aq6jt4OjATn
Name 5-Tert-butyl-2-hydroxycyclohexanecarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.141244501 u
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKey PYEOMDZPPRSCOZ-UHFFFAOYSA-N
Molecular Weight 200.278 g/mol
SMILES OC1C(C(O)=O)CC(CC1)C(C)(C)C
Spectrum/Structure Validation Score (Raman) 0.919487