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p-Anisic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

p-Anisic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
SpectraBase Compound ID 3u8jeLyHBnj
InChI InChI=1S/C18H22O3/c1-13(2)6-9-17(12-14(3)4)21-18(19)15-7-10-16(20-5)11-8-15/h7-8,10-11,14,17H,1,12H2,2-5H3
InChIKey BNVUAFGNMYVRML-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID cLxmmXffON
Name p-Anisic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.156894565 u
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-13(2)6-9-17(12-14(3)4)21-18(19)15-7-10-16(20-5)11-8-15/h7-8,10-11,14,17H,1,12H2,2-5H3
InChIKey BNVUAFGNMYVRML-UHFFFAOYSA-N
SMILES C1=C(C=CC(=C1)C(OC(CC(C)C)C#CC(=C)C)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93087