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(E)-7,7-Diethoxyhept-2-en-4-ynoic acid

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(E)-7,7-Diethoxyhept-2-en-4-ynoic acid
SpectraBase Compound ID LfVNlIt7IGe
InChI InChI=1S/C11H16O4/c1-3-14-11(15-4-2)9-7-5-6-8-10(12)13/h6,8,11H,3-4,9H2,1-2H3,(H,12,13)/b8-6+
InChIKey SZMZPHHWJKAMFW-SOFGYWHQSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Tp4IJnRSO2
Name (E)-7,7-Diethoxyhept-2-en-4-ynoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.104858991 u
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-3-14-11(15-4-2)9-7-5-6-8-10(12)13/h6,8,11H,3-4,9H2,1-2H3,(H,12,13)/b8-6+
InChIKey SZMZPHHWJKAMFW-SOFGYWHQSA-N
Molecular Weight 212.245 g/mol
SMILES C(#CCC(OCC)OCC)\C=C\C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980737