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5-Decyl-4,5-dimethyl-2(5H)-furanone

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

5-Decyl-4,5-dimethyl-2(5H)-furanone
SpectraBase Compound ID LQuf61ldxY5
InChI InChI=1S/C16H28O2/c1-4-5-6-7-8-9-10-11-12-16(3)14(2)13-15(17)18-16/h13H,4-12H2,1-3H3
InChIKey XUUTXAGDRXQWSJ-UHFFFAOYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AwMmM4eXpp4
Name 5-Decyl-4,5-dimethyl-2(5H)-furanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-4-5-6-7-8-9-10-11-12-16(3)14(2)13-15(17)18-16/h13H,4-12H2,1-3H3
InChIKey XUUTXAGDRXQWSJ-UHFFFAOYSA-N
Molecular Weight 252.398 g/mol
SMILES C1(OC(C(=C1)C)(CCCCCCCCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913642