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Benzyl 4-hexyloxy-2-butynyl ether

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

Benzyl 4-hexyloxy-2-butynyl ether
SpectraBase Compound ID GkMEp5G45cD
InChI InChI=1S/C17H24O2/c1-2-3-4-8-13-18-14-9-10-15-19-16-17-11-6-5-7-12-17/h5-7,11-12H,2-4,8,13-16H2,1H3
InChIKey QLFAGTZBTYHAIO-UHFFFAOYSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3WWOt6sMcP5
Name Benzyl 4-hexyloxy-2-butynyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.177630011 u
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-2-3-4-8-13-18-14-9-10-15-19-16-17-11-6-5-7-12-17/h5-7,11-12H,2-4,8,13-16H2,1H3
InChIKey QLFAGTZBTYHAIO-UHFFFAOYSA-N
Molecular Weight 260.377 g/mol
SMILES C(#CCOCCCCCC)COCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856211