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2,4-Bis(ethoxycarbonyl)-7-methoxycyclohepta-2,4,6-trien-1-one

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

2,4-Bis(ethoxycarbonyl)-7-methoxycyclohepta-2,4,6-trien-1-one
SpectraBase Compound ID HWaJMyLdAzk
InChI InChI=1S/C14H16O6/c1-4-19-13(16)9-6-7-11(18-3)12(15)10(8-9)14(17)20-5-2/h6-8H,4-5H2,1-3H3
InChIKey DPTHHMQWXGJPNY-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C14H16O6
Exact Mass 280.094688 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5YSSo41qni7
Name 2,4-bis(Ethoxycarbonyl)-7-methoxycyclohepta-2,4,6-trien-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.094688229 u
Formula C14H16O6
InChI InChI=1S/C14H16O6/c1-4-19-13(16)9-6-7-11(18-3)12(15)10(8-9)14(17)20-5-2/h6-8H,4-5H2,1-3H3
InChIKey DPTHHMQWXGJPNY-UHFFFAOYSA-N
SMILES C1(=CC(=CC=C(C1=O)OC)C(=O)OCC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960084