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Ethyl 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-7-acetate

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

Ethyl 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-7-acetate
SpectraBase Compound ID 3W8rfPQGPvT
InChI InChI=1S/C13H22O3/c1-4-16-10(14)8-13-6-5-9(7-13)12(2,3)11(13)15/h9,11,15H,4-8H2,1-3H3
InChIKey GKFHGEFNEOGYHW-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 98W9eQcU3tX
Name Ethyl 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-7-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-4-16-10(14)8-13-6-5-9(7-13)12(2,3)11(13)15/h9,11,15H,4-8H2,1-3H3
InChIKey GKFHGEFNEOGYHW-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C12(C(C(C)(C)C(C2)CC1)O)CC(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924993