For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-(Benzyloxy)-1,1,2,2-tetraethoxyhex-3-yne

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

5-(Benzyloxy)-1,1,2,2-tetraethoxyhex-3-yne
SpectraBase Compound ID 8zdOQO6oRFF
InChI InChI=1S/C21H32O5/c1-6-22-20(23-7-2)21(25-8-3,26-9-4)16-15-18(5)24-17-19-13-11-10-12-14-19/h10-14,18,20H,6-9,17H2,1-5H3
InChIKey HHDLVTTUVRLKFN-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID dTUkqnnhHr
Name 5-(Benzyloxy)-1,1,2,2-tetraethoxyhex-3-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.224974125 u
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-6-22-20(23-7-2)21(25-8-3,26-9-4)16-15-18(5)24-17-19-13-11-10-12-14-19/h10-14,18,20H,6-9,17H2,1-5H3
InChIKey HHDLVTTUVRLKFN-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES C(OCC)(OCC)C(OCC)(OCC)C#CC(C)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918888