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3-Benzylidene-5-(p-methylphenyl)-2(3H)-furanone

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

3-Benzylidene-5-(p-methylphenyl)-2(3H)-furanone
SpectraBase Compound ID KkMV80tSjbG
InChI InChI=1S/C18H14O2/c1-13-7-9-15(10-8-13)17-12-16(18(19)20-17)11-14-5-3-2-4-6-14/h2-12H,1H3/b16-11+
InChIKey CHAKHJKCGWRYNM-LFIBNONCSA-N
Mol Weight 262.31 g/mol
Molecular Formula C18H14O2
Exact Mass 262.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7svAq3pMbFJ
Name 3-Benzylidene-5-(p-methylphenyl)-2(3H)-furanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.099379689 u
Formula C18H14O2
InChI InChI=1S/C18H14O2/c1-13-7-9-15(10-8-13)17-12-16(18(19)20-17)11-14-5-3-2-4-6-14/h2-12H,1H3/b16-11+
InChIKey CHAKHJKCGWRYNM-LFIBNONCSA-N
Molecular Weight 262.308 g/mol
SMILES C1(\C(C=C(O1)C1=CC=C(C=C1)C)=C\C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970986