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Trans-4-(hydroxymethyl)cyclohexanecarboxylic acid, o-acetyl

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

Trans-4-(hydroxymethyl)cyclohexanecarboxylic acid, o-acetyl
SpectraBase Compound ID Ex9vXaFOzX9
InChI InChI=1S/C10H16O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h8-9H,2-6H2,1H3,(H,12,13)
InChIKey WHDZQFXOJAWKLK-UHFFFAOYSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LZ7UWcq5HgU
Name Trans-4-(hydroxymethyl)cyclohexanecarboxylic acid, o-acetyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.104858991 u
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h8-9H,2-6H2,1H3,(H,12,13)
InChIKey WHDZQFXOJAWKLK-UHFFFAOYSA-N
Molecular Weight 200.234 g/mol
SMILES C1(CCC(CC1)COC(=O)C)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95912