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3-Chloro-5-cyclohexyloxy-4-propoxyfuran-2(5H)-one

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

3-Chloro-5-cyclohexyloxy-4-propoxyfuran-2(5H)-one
SpectraBase Compound ID 7Qu2rXG90se
InChI InChI=1S/C13H19ClO4/c1-2-8-16-11-10(14)12(15)18-13(11)17-9-6-4-3-5-7-9/h9,13H,2-8H2,1H3
InChIKey FPVVNOZJHOSMMX-UHFFFAOYSA-N
Mol Weight 274.74 g/mol
Molecular Formula C13H19ClO4
Exact Mass 274.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BLdWfjcJjL7
Name 3-Chloro-5-cyclohexyloxy-4-propoxyfuran-2(5H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.097186788 u
Formula C13H19ClO4
InChI InChI=1S/C13H19ClO4/c1-2-8-16-11-10(14)12(15)18-13(11)17-9-6-4-3-5-7-9/h9,13H,2-8H2,1H3
InChIKey FPVVNOZJHOSMMX-UHFFFAOYSA-N
Molecular Weight 274.744 g/mol
SMILES CCCOC=1C(OC2CCCCC2)OC(=O)C1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839157