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Ethyl 3-phenyl-5-methyl-6-ethyl-p-benzoquinone-2-carboxylate

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

Ethyl 3-phenyl-5-methyl-6-ethyl-p-benzoquinone-2-carboxylate
SpectraBase Compound ID BP8L3EeWFQx
InChI InChI=1S/C18H18O4/c1-4-13-11(3)16(19)14(12-9-7-6-8-10-12)15(17(13)20)18(21)22-5-2/h6-10H,4-5H2,1-3H3
InChIKey LNAJJEJSYCJDHK-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LrRyZF0V8gG
Name Ethyl 3-phenyl-5-methyl-6-ethyl-p-benzoquinone-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-4-13-11(3)16(19)14(12-9-7-6-8-10-12)15(17(13)20)18(21)22-5-2/h6-10H,4-5H2,1-3H3
InChIKey LNAJJEJSYCJDHK-UHFFFAOYSA-N
SMILES C1(C(=C(C(C(=C1CC)C)=O)C=1C=CC=CC1)C(=O)OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967158