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1-(3'-Ethoxy-4'-methoxyphenyl)-3-oxo-4-penten-1-yne

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

1-(3'-Ethoxy-4'-methoxyphenyl)-3-oxo-4-penten-1-yne
SpectraBase Compound ID EdurxSwwh4m
InChI InChI=1S/C14H14O3/c1-4-12(15)8-6-11-7-9-13(16-3)14(10-11)17-5-2/h4,7,9-10H,1,5H2,2-3H3
InChIKey FHPPBRRXYGKNLB-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EMZEctKFdSw
Name 1-(3'-Ethoxy-4'-methoxyphenyl)-3-oxo-4-penten-1-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.094294308 u
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-4-12(15)8-6-11-7-9-13(16-3)14(10-11)17-5-2/h4,7,9-10H,1,5H2,2-3H3
InChIKey FHPPBRRXYGKNLB-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES C(#CC=1C=C(OCC)C(=CC1)OC)C(C=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962532