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5-(Benzyloxy)-1,1-diethoxy-5-methylhex-3-yn-2-one

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

5-(Benzyloxy)-1,1-diethoxy-5-methylhex-3-yn-2-one
SpectraBase Compound ID CGa9SyPQGry
InChI InChI=1S/C18H24O4/c1-5-20-17(21-6-2)16(19)12-13-18(3,4)22-14-15-10-8-7-9-11-15/h7-11,17H,5-6,14H2,1-4H3
InChIKey GCKFIGPJFYDLAD-UHFFFAOYSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cdwx5PfdE6y
Name 5-(Benzyloxy)-1,1-diethoxy-5-methylhex-3-yn-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.167459249 u
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-5-20-17(21-6-2)16(19)12-13-18(3,4)22-14-15-10-8-7-9-11-15/h7-11,17H,5-6,14H2,1-4H3
InChIKey GCKFIGPJFYDLAD-UHFFFAOYSA-N
SMILES C(OCC)(OCC)C(C#CC(OCC=1C=CC=CC1)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97854