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bis(2'-Hydroxymethyl-4'-methoxyphenyl)ethyne

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

bis(2'-Hydroxymethyl-4'-methoxyphenyl)ethyne
SpectraBase Compound ID FTtKyArNnCs
InChI InChI=1S/C18H18O4/c1-21-17-7-5-13(15(9-17)11-19)3-4-14-6-8-18(22-2)10-16(14)12-20/h5-10,19-20H,11-12H2,1-2H3
InChIKey UYTJVWRBRPCUPN-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Irum3MgvTdr
Name bis(2'-Hydroxymethyl-4'-methoxyphenyl)ethyne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-21-17-7-5-13(15(9-17)11-19)3-4-14-6-8-18(22-2)10-16(14)12-20/h5-10,19-20H,11-12H2,1-2H3
InChIKey UYTJVWRBRPCUPN-UHFFFAOYSA-N
SMILES C(#CC=1C(=CC(=CC1)OC)CO)C=1C(=CC(=CC1)OC)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85774