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1,4-Pentadiyn-3-one, 1,5-bis(4-methoxyphenyl)-

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

1,4-Pentadiyn-3-one, 1,5-bis(4-methoxyphenyl)-
SpectraBase Compound ID 8rQinX8eDjS
InChI InChI=1S/C19H14O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h5-8,11-14H,1-2H3
InChIKey NINRYTKTCIYKTC-UHFFFAOYSA-N
Mol Weight 290.32 g/mol
Molecular Formula C19H14O3
Exact Mass 290.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GgextPybJwL
Name 1,4-Pentadiyn-3-one, 1,5-bis(4-methoxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.094294308 u
Formula C19H14O3
InChI InChI=1S/C19H14O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h5-8,11-14H,1-2H3
InChIKey NINRYTKTCIYKTC-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)OC)C#CC(=O)C#CC1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868889