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5,5-Bis(ethoxycarbonyl)oct-7-en-2-yn-1-ol

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

5,5-Bis(ethoxycarbonyl)oct-7-en-2-yn-1-ol
SpectraBase Compound ID I4337zZ4EHk
InChI InChI=1S/C14H20O5/c1-4-9-14(10-7-8-11-15,12(16)18-5-2)13(17)19-6-3/h4,15H,1,5-6,9-11H2,2-3H3
InChIKey WPHFIMWRFBVMJL-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2aaqAxudsDr
Name 5,5-bis(Ethoxycarbonyl)oct-7-en-2-yn-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.131073739 u
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-4-9-14(10-7-8-11-15,12(16)18-5-2)13(17)19-6-3/h4,15H,1,5-6,9-11H2,2-3H3
InChIKey WPHFIMWRFBVMJL-UHFFFAOYSA-N
Molecular Weight 268.309 g/mol
SMILES C(C#CCC(CC=C)(C(=O)OCC)C(=O)OCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97033