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4-(4-hydroxybut-1-ynyl)-3-phenyl-1H-pyridazin-6-one

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

4-(4-hydroxybut-1-ynyl)-3-phenyl-1H-pyridazin-6-one
SpectraBase Compound ID GYG3YwdOBgI
InChI InChI=1S/C14H12N2O2/c17-9-5-4-8-12-10-13(18)15-16-14(12)11-6-2-1-3-7-11/h1-3,6-7,10,17H,5,9H2,(H,15,18)
InChIKey YMDHHIMYCHLJLP-UHFFFAOYSA-N
Mol Weight 240.26 g/mol
Molecular Formula C14H12N2O2
Exact Mass 240.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hib2KBeucIF
Name 4-(4-Hydroxybut-1-ynyl)-3-phenyl-1H-pyridazin-6-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.089877632 u
Formula C14H12N2O2
InChI InChI=1S/C14H12N2O2/c17-9-5-4-8-12-10-13(18)15-16-14(12)11-6-2-1-3-7-11/h1-3,6-7,10,17H,5,9H2,(H,15,18)
InChIKey YMDHHIMYCHLJLP-UHFFFAOYSA-N
Molecular Weight 240.262 g/mol
SMILES C1(C=C(C(=NN1)C=1C=CC=CC1)C#CCCO)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900338