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Acetic acid, 4-methyl-2-oxo-tetrahydro-pyran-4-yl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Acetic acid, 4-methyl-2-oxo-tetrahydro-pyran-4-yl ester
SpectraBase Compound ID wzJvGvi2E
InChI InChI=1S/C8H14O4/c1-6(9)12-8(2)3-4-11-7(10)5-8/h7,10H,3-5H2,1-2H3
InChIKey FSXLUDCGXNKCJS-UHFFFAOYSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B3PrnqPrHpc
Name Acetic acid, 4-methyl-2-oxo-tetrahydro-pyran-4-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.089208927 u
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-6(9)12-8(2)3-4-11-7(10)5-8/h7,10H,3-5H2,1-2H3
InChIKey FSXLUDCGXNKCJS-UHFFFAOYSA-N
Molecular Weight 174.196 g/mol
Nominal Mass 174 u
SMILES OC1CC(CCO1)(C)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857796