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Diethyl 4,4,6-trimethylcyclohepta-1,5-diene-1,3-dicarboxylate

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

Diethyl 4,4,6-trimethylcyclohepta-1,5-diene-1,3-dicarboxylate
SpectraBase Compound ID 27q0KRRnaP6
InChI InChI=1S/C16H24O4/c1-6-19-14(17)12-8-11(3)10-16(4,5)13(9-12)15(18)20-7-2/h9-10,13H,6-8H2,1-5H3
InChIKey CSQXWMXRHMUZAN-UHFFFAOYSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8XxyjxnpTBo
Name Diethyl 4,4,6-trimethylcyclohepta-1,5-diene-1,3-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.167459249 u
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-6-19-14(17)12-8-11(3)10-16(4,5)13(9-12)15(18)20-7-2/h9-10,13H,6-8H2,1-5H3
InChIKey CSQXWMXRHMUZAN-UHFFFAOYSA-N
SMILES C1=C(C(=O)OCC)CC(C)=CC(C1C(=O)OCC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834183