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[4-(Acetoxymethyl)cyclohexyl]methyl acetate

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

[4-(Acetoxymethyl)cyclohexyl]methyl acetate
SpectraBase Compound ID KHvlqf19V2m
InChI InChI=1S/C12H20O4/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h11-12H,3-8H2,1-2H3
InChIKey NNCDHEJIRBOLSS-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2JjSF1fKVBW
Name [4-(Acetoxymethyl)cyclohexyl]methyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.136159120 u
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h11-12H,3-8H2,1-2H3
InChIKey NNCDHEJIRBOLSS-UHFFFAOYSA-N
Molecular Weight 228.288 g/mol
SMILES C(=O)(OCC1CCC(COC(=O)C)CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863227