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Cyclohexaneacetic acid, 3-hydroxy-2,2-dimethyl-, cis-

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

Cyclohexaneacetic acid, 3-hydroxy-2,2-dimethyl-, cis-
SpectraBase Compound ID 7CsMRhGiAYx
InChI InChI=1S/C10H18O3/c1-10(2)7(6-9(12)13)4-3-5-8(10)11/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKey VFZXSAPKDDBAFI-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C1l5tIB1PEd
Name Cyclohexaneacetic acid, 3-hydroxy-2,2-dimethyl-, cis-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.125594437 u
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-10(2)7(6-9(12)13)4-3-5-8(10)11/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKey VFZXSAPKDDBAFI-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C1(C(CC(=O)O)CCCC1O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.805877