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Diethyl 5,6,8,10-tetramethylheptalene-1,2-dicarboxylate

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

Diethyl 5,6,8,10-tetramethylheptalene-1,2-dicarboxylate
SpectraBase Compound ID 3ntGt3wdyGA
InChI InChI=1S/C22H26O4/c1-7-25-21(23)17-10-9-14(4)18-15(5)11-13(3)12-16(6)19(18)20(17)22(24)26-8-2/h9-12H,7-8H2,1-6H3
InChIKey FANHGVJLHYFAOT-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BjnbDYLYUiL
Name Diethyl 5,6,8,10-tetramethylheptalene-1,2-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-7-25-21(23)17-10-9-14(4)18-15(5)11-13(3)12-16(6)19(18)20(17)22(24)26-8-2/h9-12H,7-8H2,1-6H3
InChIKey FANHGVJLHYFAOT-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C12=C(C(=CC=C(C2=C(C=C(C=C1C)C)C)C)C(=O)OCC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822124