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2,2-Dimethyl-5-phenyl-4-(hexyl)furan-3(2H)-one

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

2,2-Dimethyl-5-phenyl-4-(hexyl)furan-3(2H)-one
SpectraBase Compound ID 8EAl05En8Mf
InChI InChI=1S/C18H24O2/c1-4-5-6-10-13-15-16(14-11-8-7-9-12-14)20-18(2,3)17(15)19/h7-9,11-12H,4-6,10,13H2,1-3H3
InChIKey QSKQDLUEVBRIIA-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E4r8W7nViql
Name 2,2-Dimethyl-5-phenyl-4-(hexyl)furan-3(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.177630011 u
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-4-5-6-10-13-15-16(14-11-8-7-9-12-14)20-18(2,3)17(15)19/h7-9,11-12H,4-6,10,13H2,1-3H3
InChIKey QSKQDLUEVBRIIA-UHFFFAOYSA-N
SMILES C1(=C(C(=O)C(O1)(C)C)CCCCCC)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975476