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Cyclohexanecarboxylic acid, 2-tetrahydrofurylmethyl ester

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Cyclohexanecarboxylic acid, 2-tetrahydrofurylmethyl ester
SpectraBase Compound ID 7TfdFBh2yKL
InChI InChI=1S/C12H20O3/c13-12(10-5-2-1-3-6-10)15-9-11-7-4-8-14-11/h10-11H,1-9H2
InChIKey BTFIELGEBJLTFU-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 13FjGkqQLPt
Name Cyclohexanecarboxylic acid, 2-tetrahydrofurylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c13-12(10-5-2-1-3-6-10)15-9-11-7-4-8-14-11/h10-11H,1-9H2
InChIKey BTFIELGEBJLTFU-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C1CC(COC(=O)C2CCCCC2)OC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949038